Sugi Predict

Sugi Predict / Compounds / SCHEMBL415399

SCHEMBL415399

SCHEMBL415399

NCCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 7/20 0.65
▸ CYP2A6 P11509 1/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ LOXL2 Q9Y4K0 1/20 0.56
▸ HTR6 P50406 2/20 0.53
▸ HTR2C P28335 1/20 0.53
▸ MAOB P27338 1/20 0.52
▸ ACHE P22303 1/20 0.51
▸ HRH1 P35367 1/20 0.50
▸ LTA4H P09960 1/20 0.50
▸ PLA2G2A P14555 1/20 0.50
▸ DRD2 P14416 1/20 0.50
▸ DRD1 P21728 1/20 0.50

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
Hydrochloric Acid SCHEMBL5356526 0.98 TAAR1 (0.62) TAAR1CYP2A6HTR2ASMN1; SMN2LOXL2
SCHEMBL10106347 0.89 MAOA (0.52) TAAR1MAOB
SCHEMBL416922 0.87 MAOA (0.60) TAAR1
Hydrochloric Acid SCHEMBL5353026 0.87 FDFT1 (0.50) TAAR1
SCHEMBL6204785 0.86 TAAR1 (0.57) TAAR1SMN1; SMN2LOXL2MAOBACHE
SCHEMBL1301847 0.84 LOXL2 (0.58) SMN1; SMN2LOXL2MAOBLTA4H
SCHEMBL29102430 0.84 TAAR1 (0.86) TAAR1SMN1; SMN2MAOB
SCHEMBL3717012 0.84 TRPM8 (0.49) TAAR1CYP2A6HTR2ASMN1; SMN2LOXL2
SCHEMBL30631696 0.84 TAAR1 (0.86) TAAR1SMN1; SMN2MAOB
Hydrochloric Acid SCHEMBL919885 0.82 LOXL2 (0.57) SMN1; SMN2LOXL2MAOBLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557800-B2 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2013-10-15 — — US claimed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 — — US claimed
EP-1928848-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE Apogee Biothechnology Corporation (US) 2008-06-11 — — EP claimed
EP-1904439-A2 SPHINGOSINE KINASE INHIBITORS Apogee Biothechnology Corporation (US) 2008-04-02 — — EP claimed
WO-2007019251-A9 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORP (US) 2007-04-19 — — WO claimed
WO-2007019251-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-15 — — WO claimed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 — — US claimed
WO-2006138660-A2 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-28 — — WO claimed
US-20060287317-A1 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-21 — — US claimed
US-RE49811-E1 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2024-01-23 — — US disclosed
EP-3407912-B1 METHODS FOR ENHANCING THE POTENCY OF THE IMMUNE CHECKPOINT INHIBITORS INST NAT SANTE RECH MED (FR) 2022-05-18 — — EP disclosed
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 — — US disclosed
US-20210040215-A1 METHODS FOR ENHANCING THE POTENCY OF THE IMMUNE CHECKPOINT INHIBITORS Université Toulouse III - Paul Sabatier (FR) 2021-02-11 — — US disclosed
US-10822415-B2 Methods for enhancing the potency of the immune checkpoint inhibitors INSERM (INSTITUT NATIONAL DE LA SANTÉET DE LA RECHERCHE MÉDICALE) (FR) 2020-11-03 — — US disclosed
WO-2000069816-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-11-23 — — WO disclosed
US-6136863-A ETHERIFIED AROMATIC AMINE POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-10-24 — — US disclosed
US-4145557-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS ELI LILLY AND COMPANY (US) 1979-03-20 — — US disclosed
US-4062895-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC ELI LILLY AND COMPANY (US) 1977-12-13 — — US disclosed
US-4001322-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC ELI LILLY AND COMPANY (US) 1977-01-04 — — US disclosed
US-3972934-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC ELI LILLY AND COMPANY (US) 1976-08-03 — — 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 (6 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-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 TAAR1 132/4885CYP2A6 726/4885HTR2A 7/4885
US-20060287317-A1 SPHINGOSINE KINASE INHIBITORS SPHK1, SPHK2, S1PR1 TAAR1 2190/4885CYP2A6 4192/4885HTR2A 3071/4885
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 TAAR1 4180/4885CYP2A6 4452/4885HTR2A 3945/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 TAAR1 4114/4885CYP2A6 4409/4885HTR2A 3908/4885
US-20210040215-A1 METHODS FOR ENHANCING THE POTENCY OF THE IMMUNE CHECKPOINT INHIBITORS CD274, PDCD1, PDCD1LG2 TAAR1 2966/4885CYP2A6 4003/4885HTR2A 4319/4885
US-10822415-B2 Methods for enhancing the potency of the immune checkpoint inhibitors CD274, PDCD1, PDCD1LG2 TAAR1 2966/4885CYP2A6 4003/4885HTR2A 4319/4885

“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.