SCHEMBL90908

SCHEMBL90908

Cc1ccc2c(c1)OC(C)O2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.40
BRD4 O60885 1/20 0.40
CA2 P00918 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 2/20 0.36
MAOB P27338 6/20 0.36
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AKR1B1 P15121 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL8282240 0.86 CREBBP (0.40) CREBBPBRD4CA2PTGS2CYP1A2
SCHEMBL19122771 0.82 CREBBP (0.38) CREBBPBRD4CA2PTGS2CYP1A2
SCHEMBL13591522 0.79 PTGS2 (0.39) CREBBPBRD4CA2PTGS2CYP1A2
SCHEMBL13090773 0.77 PTGS2 (0.36) CREBBPBRD4CA2PTGS2MAOB
SCHEMBL22185345 0.76 CA2 (0.38) CREBBPBRD4CA2PTGS2CYP1A2
SCHEMBL10054032 0.76 USP2 (0.37) CREBBPBRD4CA2PTGS2MAOB
SCHEMBL13817385 0.76 USP2 (0.42) CREBBPBRD4CA2PTGS2MAOB
SCHEMBL2209905 0.74 AHR (0.50) CA2CYP1A2MAPTAKR1B1
SCHEMBL2545956 0.74 AHR (0.50) CA2CYP1A2MAPTAKR1B1
SCHEMBL9118213 0.74 CYP1A2 (0.31) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023083343-A1 POLYCYCLIC COMPOUNDS AND METHODS THEREOF HEPAITECH (BEIJING) BIOPHARMA TECHNOLOGY CO., LTD. (CN) 2023-05-19 WO disclosed
WO-2022100623-A1 NITROGEN-SUBSTITUTED HETEROCYCLIC THIOPHENE COMPOUNDS AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-05-19 WO disclosed
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
US-20160304555-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2016-10-20 US disclosed
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI YAMAMORI TERUO 2008-09-11 US disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 WO disclosed
US-20080118969-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-05-22 US disclosed
US-20080118969-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-05-22 US disclosed
US-7339078-B2 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE LLC (US) 2008-03-04 US disclosed
US-20070037754-A1 Inhibitors of HIV protease; 2S-[[(N-methylamino)acetyl]amino]-N-[2R-hydroxy-3-[[(1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino)-1S-(phenylmethyl)propyl]-3,3-dimethyl-butanamide G.D. SEARLE & CO. (US) 2007-02-15 US disclosed
US-7161033-B2 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2007-01-09 US disclosed
US-7161033-B2 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2007-01-09 US disclosed
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-01-04 US disclosed
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-01-04 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 (7 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-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI APOL1, PON1, APOB CREBBP 889/4885BRD4 521/4885CA2 1661/4885
US-20070037754-A1 Inhibitors of HIV protease; 2S-[[(N-methylamino)acetyl]amino]-N-[2R-hydroxy-3-[[(1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino)-1S-(phenylmethyl)propyl]-3,3-dimethyl-butanamide DNPEP, PREP, ANPEP CREBBP 1164/4885BRD4 442/4885CA2 3017/4885
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP CREBBP 2549/4885BRD4 1266/4885CA2 2903/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CREBBP 401/4885BRD4 1928/4885CA2 4670/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 CREBBP 942/4885BRD4 3611/4885CA2 3995/4885
US-20160219879-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT CREBBP 4650/4885BRD4 2245/4885CA2 533/4885
US-20160304555-A1 PSMA Imaging Agents FOLH1, KLK3, PSMA2 CREBBP 3111/4885BRD4 2671/4885CA2 1257/4885

“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.