SCHEMBL3755985

SCHEMBL3755985

COc1ccc(CC(=O)O)cc1N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.68
ALDH1A1 P00352 6/20 0.63
TSHR P16473 2/20 0.63
NFKB1 P19838 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
CA5A P35218 1/20 0.59
LMNA P02545 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
HTT P42858 1/20 0.54
PTGS1 P23219 1/20 0.54
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 2/20 0.50
SELL P14151 1/20 0.49
SELP P16109 1/20 0.49
GFER P55789 1/20 0.49
CYP3A4 P08684 2/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46

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
SCHEMBL6114177 0.86 GAA (0.62) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL2729248 0.86 GAA (0.68) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL6290383 0.86 GAA (0.62) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL7247237 0.85 ALDH1A1 (0.69) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL30049382 0.84 GAA (0.74) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL153055 0.84 GAA (0.74) GAAALDH1A1TSHRNFKB1TDP1
Hydrochloric Acid SCHEMBL6983661 0.83 ALDH1A1 (0.67) GAAALDH1A1LMNAL3MBTL1HTT
SCHEMBL7398838 0.83 GAA (0.59) GAAALDH1A1LMNAL3MBTL1HTT
SCHEMBL6253679 0.82 PTGS1 (0.58) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL21076208 0.82 GAA (0.72) GAAALDH1A1TSHRNFKB1TDP1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573972-B1 RORGAMMA MODULATORS AND USES THEREOF GENFIT (FR) 2026-01-14 EP disclosed
CN-119908369-A Mosquito-repellent bracelet containing N, N-diethyl-2-hydroxy-2-phenylacetamide 北京斯瑞朗文生物科技有限公司 2025-05-02 CN disclosed
US-11077115-B2 Rorgamma modulators and uses thereof GENFIT (FR) 2021-08-03 US disclosed
US-11077115-B2 Rorgamma modulators and uses thereof GENFIT (FR) 2021-08-03 US disclosed
US-10100019-B2 N2-(2-methoxyphenyl)pyrimidine derivative, method for preparing same, and pharmaceutical composition for cancer prevention or treatment containing same as active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-10-16 US disclosed
WO-2018138359-A1 RORGAMMA MODULATORS AND USES THEREOF GENFIT (FR) 2018-08-02 WO disclosed
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-26 US disclosed
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-26 US disclosed
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-26 US disclosed
WO-2016167511-A2 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT 한국화학연구원 2016-10-20 WO disclosed
US-9051281-B2 Compounds GLAXOSMITHKLINE LLC (US) 2015-06-09 US disclosed
EP-2368887-B1 1, 2, 3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-02-26 EP disclosed
US-20130281499-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2013-10-24 US disclosed
US-8486977-B2 1,2,3-triazole derivatives for use as stearoyl-CoA desaturase inhibitors GLAXOSMITHKLINE LLC (US) 2013-07-16 US disclosed
US-20100297054-A1 1,2,3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-11-25 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 (5 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-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT ALK, NPM1, EML4 GAA 3276/4885ALDH1A1 1803/4885TSHR 4348/4885
US-20100297054-A1 1,2,3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, FASN GAA 660/4885ALDH1A1 633/4885TSHR 3318/4885
US-10100019-B2 N2-(2-methoxyphenyl)pyrimidine derivative, method for preparing same, and pharmaceutical composition for cancer prevention or treatment containing same as active ingredient ALK, NPM1, EML4 GAA 3276/4885ALDH1A1 1803/4885TSHR 4348/4885
US-20130281499-A1 COMPOUNDS CYP11B2, SCD, CYP11B1 GAA 134/4885ALDH1A1 635/4885TSHR 3451/4885
US-11077115-B2 Rorgamma modulators and uses thereof RORB, RORC, RORA GAA 1507/4885ALDH1A1 761/4885TSHR 662/4885

“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.