SCHEMBL1744784

SCHEMBL1744784

COC(=O)Cc1ccc2c(c1)OCO2

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 4/20 0.62
CYP3A4 P08684 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C19 P33261 1/20 0.62
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
HSD17B10 Q99714 2/20 0.59
HPGD P15428 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
RAB9A P51151 1/20 0.56
MAPK1 P28482 2/20 0.55
PKM P14618 1/20 0.53
KLK7 P49862 1/20 0.53

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
SCHEMBL19926744 0.90 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL13957311 0.88 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL31409466 0.88 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL29067230 0.85 CYP3A4 (0.64) SMN1; SMN2ALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL7986608 0.84 CYP3A4 (0.61) SMN1; SMN2ALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL2601402 0.84 SMN1; SMN2 (0.61) SMN1; SMN2CYP3A4MEN1KMT2AHSD17B10
SCHEMBL8736580 0.84 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL30992968 0.81 CYP3A4 (0.68) SMN1; SMN2ALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL547618 0.81 CYP3A4 (0.68) SMN1; SMN2ALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL7148530 0.81 CYP3A4 (0.72) SMN1; SMN2ALDH1A1CYP3A4CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104341307-A Phenylacetic acid derivative and anti-tumor application thereof PHARMACEUTICAL RES & DEV CORP OF JINGPENGHUI 2015-02-11 CN claimed
EP-4734977-A2 NOVEL TRPV1 AGONISTS AND USES THEREOF Neucures, Inc. (US) 2026-05-06 EP disclosed
WO-2025006675-A9 NOVEL TRPV1 AGONISTS AND USES THEREOF NEUCURES, INC. (US) 2025-03-13 WO disclosed
WO-2025006675-A2 NOVEL TRPV1 AGONISTS AND USES THEREOF NEUCURES, INC. (US) 2025-01-02 WO disclosed
EP-4436964-A1 ANALOGUES OF MDMA FOR MODULATING SERT, DAT, AND / OR NET ACTIVITY The University Of Western Australia (AU) 2024-10-02 EP disclosed
CN-114989131-B N' - (2- (benzo [1,3] dioxolan-5-yl) acyl) aryl hydrazide compound as well as synthesis and application thereof 云南大学 2023-10-24 CN disclosed
WO-2023092195-A1 ANALOGUES OF MDMA FOR MODULATING SERT, DAT, AND / OR NET ACTIVITY THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2023-06-01 WO disclosed
WO-2023092195-A1 ANALOGUES OF MDMA FOR MODULATING SERT, DAT, AND / OR NET ACTIVITY THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2023-06-01 WO disclosed
EP-3719013-B1 PYRIMIDINE SULFAMIDE DERIVATIVE AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF WUXI BIOCITY BIOPHARMACEUTICS CO LTD (CN) 2023-01-04 EP disclosed
US-11319305-B2 Pyrimidine sulfamide derivative and preparation method and medical application thereof Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2022-05-03 US disclosed
US-5965576-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1999-10-12 US disclosed
US-5891871-A 2-AMINO-3-(3-HYDROXY-5-METHYLISOXAZ-4-YL)PROPIONIC ACID RECEPTOR ANTAGONISTS; TREATING NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CNS TRAUMA, HYPOGLYCEMIA OR SURGERY; OR TREATING NEURODEGENERATIVE DISEASES. COCENSYS, INC. (US) 1999-04-06 US disclosed
US-5705505-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1998-01-06 US disclosed
US-5703108-A Bone deposition by certain prostaglandin agonists PFIZER INC. (US) 1997-12-30 US disclosed
WO-1997034878-A1 SUBSTITUTED 2,3-BENZODIAZEPIN-4-ONES AND THE USE THEREOF COCENSYS, INC. (US) 1997-09-25 WO disclosed
US-5589489-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1996-12-31 US disclosed
EP-0734383-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1996-10-02 EP disclosed
WO-1995016682-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1995-06-22 WO disclosed
US-4880817-A O-functionalized derivatives of substituted isoquinolin-3-ols having cardiotonic and/or phosphodiesterase fraction III inhibiting properties and/or renal vasodilating properties ORTHO PHARMACEUTICAL CORPORATION (US) 1989-11-14 US disclosed
US-4822800-A Isoquinolinol compounds having cardiotonic and phosphodiesterase fraction III inhibiting properties and/or renal vasodilating properties ORTHO PHARMACEUTICAL CORPORATION (US) 1989-04-18 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 (1 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-11319305-B2 Pyrimidine sulfamide derivative and preparation method and medical application thereof TBXA2R, P2RY11, TPMT SMN1; SMN2 1251/4885ALDH1A1 1298/4885CYP3A4 677/4885

“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.