SCHEMBL3094576

SCHEMBL3094576

Cc1ccc2cc(C(=O)O)[nH]c2c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.56
HPGD P15428 7/20 0.56
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
USP2 O75604 1/20 0.56
EIF4A3 P38919 2/20 0.53
PIN1 Q13526 1/20 0.49
GPR35 Q9HC97 1/20 0.49
RHEB Q15382 1/20 0.48
APEX1 P27695 1/20 0.46
KDM4E B2RXH2 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
DAO P14920 2/20 0.44
MAPT P10636 1/20 0.44
SRD5A2 P31213 1/20 0.44
LMNA P02545 1/20 0.44
NSD2 O96028 1/20 0.43
SMAD3 P84022 1/20 0.42

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
SCHEMBL30817101 1.00 HSD17B10 (0.56) HSD17B10HPGDALDH1A1MEN1KMT2A
SCHEMBL27523308 0.84 EIF4A3 (0.68) HSD17B10HPGDALDH1A1MEN1KMT2A
SCHEMBL27896963 0.83 HPGD (0.53) HSD17B10HPGDALDH1A1MEN1KMT2A
SCHEMBL28740680 0.83 HPGD (0.53) HSD17B10HPGDALDH1A1MEN1KMT2A
SCHEMBL27530562 0.83 HPGD (0.53) HSD17B10HPGDALDH1A1MEN1KMT2A
SCHEMBL3599395 0.83 EIF4A3 (0.57) HSD17B10HPGDALDH1A1MEN1KMT2A
SCHEMBL3605104 0.83 HPGD (0.53) HSD17B10HPGDALDH1A1MEN1KMT2A
SCHEMBL27527790 0.83 HPGD (0.53) HSD17B10HPGDALDH1A1MEN1KMT2A
SCHEMBL8985835 0.80 HPGD (0.60) HSD17B10HPGDALDH1A1MEN1KMT2A
SCHEMBL4043989 0.79 CDK1 (0.56) HSD17B10HPGDALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346592-A1 HETEROCYCLIC PAD4 INHIBITORS CELGENE CORPORATION 2025-11-13 US disclosed
EP-4531849-A1 HETEROCYCLIC PAD4 INHIBITORS CELGENE CORPORATION (US) 2025-04-09 EP disclosed
WO-2024059087-A1 3-(1H-INDOLE-2-CARBONYL)-6,6-DIMETHYL-N-((S)-1-OXO-3-((S)-2-OXOPYRROLIDIN-3-YL)P ROPAN-2-YL)-3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXAMIDE DERIVATIVES AS MPRO INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-03-21 WO disclosed
WO-2023230609-A1 HETEROCYCLIC PAD4 INHIBITORS CELGENE CORPORATION (US) 2023-11-30 WO disclosed
US-8202993-B2 5-bromo-1'-[(6-bromo-1H-indol-2-yl)carbonyl]spiro[indole-3,4'-piperidin]-2(1H)-one; vasopressin receptors antagonist; antidepressant, anxiolytic agent; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2012-06-19 US disclosed
US-8071622-B2 1-[1-(6-Methoxy-1H-indole-2-carbonyl)-piperidin-4-yl]-1,3-dihydro-benzoimidazol-2-one; vasopressin receptors antagonist; antidepressant, anxiolytic agent; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMAN-LA ROCHE INC. (US) 2011-12-06 US disclosed
US-7799923-B2 Vasopressin receptor antagonists; (4-Benzotriazol-1-yl-piperidin-1-yl)-(5-chloro-1H-indol-2-yl)-methanone; antidepressants, anxiolytic agents; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2010-09-21 US disclosed
EP-2089381-B1 INDOLES WHICH ACT AS VIA RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
EP-2102207-B1 SPIRO-PIPERIDINE DERIVATIVES AS VIA RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-06-02 EP disclosed
CN-101547923-A Spiro-piperidine derivatives as VIA receptor antagonists HOFFMANN LA ROCHE (CH) 2009-09-30 CN disclosed
US-20080269290-A1 Indoles F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
US-20080146568-A1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-06-19 US disclosed
WO-2008068185-A1 SPIRO-PIPERIDINE DERIVATIVES AS VIA RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed
US-20080139618-A1 INDOLES HOFFMAN-LA ROCHE INC. 2008-06-12 US disclosed
WO-2008068184-A1 INDOLES WHICH ACT AS VIA RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed
US-20080139554-A1 SPIRO-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-06-12 US disclosed
US-20080139548-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
US-20080139553-A1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-06-12 US disclosed
US-20080139617-A1 INDOLES HOFFMAN-LA ROCHE INC. 2008-06-12 US disclosed
WO-2004108671-A1 SUBSTITUTED INDOLES WITH SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2004-12-16 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 (8 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-20080139553-A1 SPIRO-PIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 HSD17B10 3506/4885HPGD 1402/4885ALDH1A1 275/4885
US-20080139548-A1 INDOLES HTR1A, AVPR1A, TPH1 HSD17B10 3189/4885HPGD 1713/4885ALDH1A1 397/4885
US-20080139554-A1 SPIRO-PIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 HSD17B10 3506/4885HPGD 1402/4885ALDH1A1 275/4885
US-20080139617-A1 INDOLES HTR1A, AVPR1A, TPH1 HSD17B10 3189/4885HPGD 1713/4885ALDH1A1 397/4885
US-20080269290-A1 Indoles HTR1A, AVPR1A, TPH1 HSD17B10 3189/4885HPGD 1713/4885ALDH1A1 397/4885
US-20080139618-A1 INDOLES HTR1A, AVPR1A, TPH1 HSD17B10 3189/4885HPGD 1713/4885ALDH1A1 397/4885
US-20250346592-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI6, PADI2 HSD17B10 449/4885HPGD 409/4885ALDH1A1 183/4885
US-20080146568-A1 SPIRO-PIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 HSD17B10 3506/4885HPGD 1402/4885ALDH1A1 275/4885

“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.