Sugi Predict

Sugi Predict / Compounds / SCHEMBL3194641

SCHEMBL3194641

SCHEMBL3194641

CC(C)c1cc(Br)ccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ ACE2 Q9BYF1 1/20 0.47
▸ GABRA1 P14867 1/20 0.45
▸ GABRB1 P18505 1/20 0.45
▸ MYC P01106 1/20 0.45
▸ NR4A1 P22736 1/20 0.45
▸ DHODH Q02127 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ FABP3 P05413 1/20 0.41
▸ FABP4 P15090 1/20 0.41
▸ SORT1 Q99523 4/20 0.41
▸ CAMKK2 Q96RR4 1/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40

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
SCHEMBL29005696 0.87 KDM4E (0.47) KDM4EGLAACE2MYCNR4A1
SCHEMBL24680076 0.85 KDM4E (0.53) KDM4EGLAACE2MYCNR4A1
SCHEMBL21607497 0.85 GABRA1 (0.45) KDM4EGLAACE2GABRA1GABRB1
SCHEMBL11613901 0.82 KDM4E (0.50) KDM4EGLAMYCNR4A1SORT1
SCHEMBL3201674 0.82 KDM4E (0.43) KDM4EGLAACE2MYCNR4A1
SCHEMBL17187941 0.82 KDM4E (0.43) KDM4EGLAMYCNR4A1DHODH
SCHEMBL257251 0.81 KDM4E (0.42) KDM4EGLAACE2MYCNR4A1
SCHEMBL257228 0.81 KDM4E (0.48) KDM4EGLAMYCNR4A1SORT1
SCHEMBL3192341 0.80 NR4A2 (0.49) KDM4EGLAGABRA1GABRB1L3MBTL1
SCHEMBL6644184 0.78 CSNK2A1 (0.52) ACE2ALDH1A1FABP3FABP4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115003673-B Dihydropyrimidine compound, preparation method and application thereof 上海维申医药有限公司 2023-08-11 — — CN disclosed
CN-115003673-A Dihydropyrimidine compound, and preparation method and application thereof 上海维申医药有限公司 2022-09-02 — — CN disclosed
WO-2022121844-A1 DIHYDROPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海维申医药有限公司 2022-06-16 — — WO disclosed
CN-114621219-A Dihydropyrimidine compound, and preparation method and application thereof 上海维申医药有限公司 2022-06-14 — — CN disclosed
US-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 — — US disclosed
CN-112566901-A Phenyl-substituted pyrazoles as modulators of ROR γ t 詹森药业有限公司 2021-03-26 — — CN disclosed
EP-3790865-A1 PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORYT Janssen Pharmaceutica NV (BE) 2021-03-17 — — EP disclosed
WO-2019243999-A1 PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 — — WO disclosed
WO-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 — — WO disclosed
US-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 — — US disclosed
US-7423185-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-09-09 — — US disclosed
US-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 — — US disclosed
EP-1593666-B1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL (JP) 2008-07-02 — — EP disclosed
EP-1828180-A1 1H-PYRROLO[2,3-BETA]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2007-09-05 — — EP disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 — — US disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 — — EP disclosed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 — — WO disclosed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 — — WO disclosed
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-06-15 — — US disclosed
EP-1593666-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-11-09 — — EP 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 (3 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-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt RORC, RORB, RORA KDM4E 1082/4885GLA 2699/4885ACE2 4209/4885
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A KDM4E 2845/4885GLA 2163/4885ACE2 769/4885
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof ADRB3, ADRA2C, ADRA1A KDM4E 2733/4885GLA 2228/4885ACE2 1167/4885

“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.