Sugi Predict

Sugi Predict / Compounds / SCHEMBL1268720

SCHEMBL1268720

SCHEMBL1268720

C[C@@]1(O)CN[C@H](C(=O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.52
▸ ALOX15 P16050 3/20 0.52
▸ GRM2 Q14416 1/20 0.52
▸ GRM3 Q14832 1/20 0.52
▸ APLNR P35414 1/20 0.38
▸ CYP2D6 P10635 3/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ BLM P54132 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GRIA1 P42261 3/20 0.35
▸ GRIA2 P42262 3/20 0.35
▸ GRIA3 P42263 3/20 0.35
▸ GRIA4 P48058 3/20 0.35
▸ HTT P42858 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23942121 1.00 CYP1A2 (0.52) CYP1A2ALOX15GRM2GRM3APLNR
SCHEMBL3932250 1.00 CYP1A2 (0.52) CYP1A2ALOX15GRM2GRM3APLNR
SCHEMBL14762720 1.00 CYP1A2 (0.52) CYP1A2ALOX15GRM2GRM3APLNR
SCHEMBL10585002 1.00 CYP1A2 (0.52) CYP1A2ALOX15GRM2GRM3APLNR
Hydrochloric Acid SCHEMBL15775873 0.98 CYP1A2 (0.50) CYP1A2ALOX15GRM2GRM3APLNR
SCHEMBL15782113 0.81 GRM2 (0.37) CYP1A2ALOX15GRM2GRM3
SCHEMBL22123007 0.81 GRM2 (0.37) CYP1A2ALOX15GRM2GRM3
SCHEMBL15776392 0.81 GRM2 (0.37) CYP1A2ALOX15GRM2GRM3
SCHEMBL556207 0.80 CYP1A2 (0.53) CYP1A2ALOX15GRM2GRM3APLNR
SCHEMBL18154922 0.80 CYP1A2 (0.53) CYP1A2ALOX15GRM2GRM3APLNR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150174095-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VISUAL SYSTEM DISORDERS ALLERGAN, INC. 2015-06-25 — — US claimed
US-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2023-02-23 — — US disclosed
US-10072017-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-09-11 — — US disclosed
US-20170204110-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2017-07-20 — — US disclosed
US-20170204110-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2017-07-20 — — US disclosed
US-20170204110-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2017-07-20 — — US disclosed
WO-2017117239-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC (US) 2017-07-06 — — WO disclosed
WO-2017117239-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC (US) 2017-07-06 — — WO disclosed
US-9512074-B2 Radiolabeled inhibitors of the amino acid transporters ASCT1 and ASCT2 THE UNIVERSITY OF MONTANA (US) 2016-12-06 — — US disclosed
US-9512074-B2 Radiolabeled inhibitors of the amino acid transporters ASCT1 and ASCT2 THE UNIVERSITY OF MONTANA (US) 2016-12-06 — — US disclosed
US-20130065935-A1 Novel Inhibitors of the Amino Acid Transporters ASCT1 and ASCT2 THE UNIVERSITY OF MONTANA 2013-03-14 — — US disclosed
US-20120302747-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-11-29 — — US disclosed
US-8263765-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-11 — — US disclosed
US-20110124623-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-26 — — US disclosed
US-7879855-B2 administering (S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrrolo[1,2-f][1,2,4]triazin-2-yl)-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamide, for the treatment of cancers of the colon, lung, ovary, and pancreas; anticarcinogenic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-01 — — US disclosed
US-20090239838-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-09-24 — — US disclosed
US-7534792-B2 e.g. 1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrrolo[1,2-f][1,2,4]triazin-2-yl)-N-methylpyrrolidine-2-carboxamide; tyrosine kinase inhibitor; anticarcinogenic, antiproliferative agent, neurodegenerative diseases; Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-19 — — US disclosed
EP-2041138-A2 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-01 — — EP disclosed
WO-2008005956-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 — — WO disclosed
US-20080009497-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130065935-A1 Novel Inhibitors of the Amino Acid Transporters ASCT1 and ASCT2 SLC1A2, SLC1A1, SLC1A3 CYP1A2 2952/4885ALOX15 3301/4885GRM2 402/4885
US-20150174095-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VISUAL SYSTEM DISORDERS SLC6A7, SLC1A5, SLC7A5 CYP1A2 3438/4885ALOX15 2886/4885GRM2 1142/4885
US-20080009497-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 CYP1A2 1518/4885ALOX15 3031/4885GRM2 974/4885
US-20110124623-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 CYP1A2 1518/4885ALOX15 3031/4885GRM2 974/4885
US-20170204110-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE CYP1A2 1039/4885ALOX15 1366/4885GRM2 4859/4885
US-20120302747-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 CYP1A2 1518/4885ALOX15 3031/4885GRM2 974/4885
US-10072017-B2 Compounds and methods for the treatment of cystic fibrosis CFTR, SERPINB1, ELANE CYP1A2 1039/4885ALOX15 1366/4885GRM2 4859/4885
US-20090239838-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 CYP1A2 1518/4885ALOX15 3031/4885GRM2 974/4885
US-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, MPST, CRAT CYP1A2 634/4885ALOX15 1222/4885GRM2 4881/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.