SCHEMBL391197

SCHEMBL391197

CS(=O)(=O)Nc1cccc(I)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.57
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 1/20 0.53
KIF11 P52732 1/20 0.49
NR3C1 P04150 1/20 0.47
BRD4 O60885 3/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
HTT P42858 1/20 0.45
NR3C2 P08235 1/20 0.44
NPC1 O15118 1/20 0.44
JAK2 O60674 1/20 0.44
RAB9A P51151 1/20 0.44
KDM1A O60341 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43

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
SCHEMBL698855 0.85 KEAP1 (0.70) KEAP1ALDH1A1SMN1; SMN2POLBKIF11
SCHEMBL26386062 0.81 HPGD (0.47) ALDH1A1SMN1; SMN2BRD4HTTNR3C2
SCHEMBL26386065 0.79 KDM1A (0.48) SMN1; SMN2BRD4KDM1A
SCHEMBL27183105 0.78 CA2 (0.45) ALDH1A1SMN1; SMN2HSD17B2
SCHEMBL9307018 0.78 KEAP1 (0.59) KEAP1ALDH1A1SMN1; SMN2POLBKIF11
SCHEMBL1488105 0.78 KEAP1 (0.59) KEAP1ALDH1A1SMN1; SMN2POLBKIF11
SCHEMBL9865360 0.78 KEAP1 (0.59) KEAP1ALDH1A1SMN1; SMN2POLBKIF11
SCHEMBL169803 0.78 KEAP1 (0.59) KEAP1ALDH1A1SMN1; SMN2POLBKIF11
SCHEMBL31216162 0.77 KEAP1 (0.53) KEAP1ALDH1A1SMN1; SMN2POLBKIF11
SCHEMBL5262193 0.77 NR3C1 (0.56) KEAP1ALDH1A1SMN1; SMN2POLBKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228502-A1 2-PHENYLAMINO PYRROLOPYRIMIDINES AS ACK1 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-07-11 US disclosed
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
WO-2022226290-A1 2-PHENYLAMINO PYRROLOPYRIMIDINES AS ACK1 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2022-10-27 WO disclosed
EP-3052501-B1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY SCIENCE TECH & RES (SG) 2022-06-22 EP disclosed
EP-3429994-B1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LTD (GB) 2021-06-16 EP disclosed
EP-3733670-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Mediconns (Shanghai) Biopharmaceutical Co., Ltd (CN) 2020-11-04 EP disclosed
US-10544149-B2 Bicyclic alkyne derivatives and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-01-28 US disclosed
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-07-12 US disclosed
US-9884867-B2 Bicyclic alkyne derivatives and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-06 US disclosed
US-5891883-A 4,4-(disubstituted)cyclohexan-1-ols monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-04-06 US disclosed
EP-0828493-A4 4.4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS-MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-09-02 EP disclosed
CN-1192146-A 4, 4-disubstituted cyclohexan-1-ol monomers and related compounds SMITHKLINE BEECHAM CORP (US) 1998-09-02 CN disclosed
EP-0794774-A4 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-04-29 EP disclosed
EP-0828493-A1 4.4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS-MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-18 EP disclosed
CN-1175242-A 3, 3 -(disubstituted) cyclohexan -1 -one monomers and related compounds SMITHKLINE BEECHAM CORP (US) 1998-03-04 CN disclosed
CN-1175210-A 4, 4 -(disubstituted) cyclohexan -1 -ols and related compounds SMITHKLINE BEECHAM CORP (US) 1998-03-04 CN disclosed
EP-0794774-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-09-17 EP disclosed
WO-1996038150-A1 4.4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS-MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-12-05 WO disclosed
WO-1996019988-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-04 WO 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-20240228502-A1 2-PHENYLAMINO PYRROLOPYRIMIDINES AS ACK1 INHIBITORS ADCK1, DCK, TNKS2 KEAP1 2235/4885ALDH1A1 2860/4885SMN1; SMN2 1149/4885
US-10544149-B2 Bicyclic alkyne derivatives and uses thereof MAPKAPK2, MAP4K2, MKNK2 KEAP1 1489/4885ALDH1A1 2664/4885SMN1; SMN2 567/4885
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 KEAP1 1394/4885ALDH1A1 2703/4885SMN1; SMN2 576/4885

“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.