SCHEMBL171684

SCHEMBL171684

NC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.71
SRD5A2 P31213 1/20 0.59
PARP1 P09874 2/20 0.57
LMNA P02545 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
P2RX1 P51575 1/20 0.56
PTGS1 P23219 3/20 0.55
MAOB P27338 2/20 0.55
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.54
MAPT P10636 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
SCHEMBL27621589 1.00 CES2 (0.71) CES2SRD5A2PARP1LMNANPSR1
Benzene SCHEMBL28007804 0.98 CES2 (0.69) CES2SRD5A2PARP1LMNANPSR1
Water SCHEMBL28050254 0.98 CES2 (0.69) CES2SRD5A2PARP1LMNANPSR1
Hydrochloric Acid SCHEMBL4372373 0.98 CES2 (0.69) CES2SRD5A2PARP1LMNANPSR1
Hydrochloric Acid SCHEMBL1267321 0.98 CES2 (0.69) CES2SRD5A2PARP1LMNANPSR1
Formic Acid SCHEMBL29537369 0.93 CES2 (0.62) CES2SRD5A2PARP1LMNANPSR1
Acetic Acid SCHEMBL10340449 0.93 CES2 (0.62) CES2SRD5A2PARP1LMNANPSR1
Trifluoroacetic Acid SCHEMBL6072041 0.93 CES2 (0.62) CES2SRD5A2PARP1LMNANPSR1
Butane SCHEMBL27384864 0.91 ALDH1A1 (0.61) CES2SRD5A2NPSR1PTGS1MAOB
Propene SCHEMBL27375872 0.90 CES2 (0.59) CES2SRD5A2LMNANPSR1P2RX1

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 1445 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4745138-A1 THIO-GLUTARIMIDO ISOINDOLINONE DERIVATIVE, BIFUNCTIONAL PROTEIN DEGRADER CONTAINING SAME, AND USES THEREOF Gluetacs Therapeutics (Shanghai) Co., Ltd. (CN) 2026-05-20 EP claimed
EP-4105213-B1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND THERAPEUTIC PHARMACEUTIC COMPOSITION COMPRISING SAME PHAROS IBIO CO LTD (KR) 2026-04-15 EP claimed
US-20260070903-A1 NOVEL PYRIDO[3,4-D]PYRIMIDIN-8-ONE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING, ALLEVIATING, OR TREATING CANCER, COMPRISING SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2026-03-12 US claimed
US-20250051293-A1 NOVEL OXADIAZOLE DERIVATIVE AND USE THEREOF CELROS BIOTECH (KR) 2025-02-13 US claimed
CN-119371298-A Method for efficiently synthesizing indenone compound 南阳师范学院 2025-01-28 CN claimed
WO-2024242495-A1 NOVEL COMPOUND FOR INHIBITING PROTEIN KINASES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 매직불릿테라퓨틱스 2024-11-28 WO claimed
EP-4431498-A1 NOVEL OXADIAZOLE DERIVATIVE AND USE THEREOF Celros Biotech (KR) 2024-09-18 EP claimed
CN-118525010-A Novel oxadiazole derivative and use thereof 赛罗斯生物科技 2024-08-20 CN claimed
CN-113646307-B Pyrido [3,4-d ] pyrimidin-8-one derivatives having protein kinase inhibitory activity and pharmaceutical compositions thereof 韩国科学技术研究院 2024-07-30 CN claimed
US-11932646-B2 Small molecule myristate inhibitors of Bcr-abl and methods of use THE SCRIPPS RESEARCH INSTITUTE (US) 2024-03-19 US claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
EP-0998459-A2 PYRIDINE DERIVATIVES Novartis AG (CH) 2000-05-10 EP claimed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO claimed
WO-2000009486-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-24 WO claimed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 WO claimed
EP-0973767-A1 INDAZOLES OF CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS Dupont Pharmaceuticals Company (US) 2000-01-26 EP claimed
US-5985867-A TREATING HIV INFECTION DUPONT PHARMACEUTICALS COMPANY (US) 1999-11-16 US claimed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 WO claimed
WO-1999002497-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 1999-01-21 WO claimed
WO-1998043969-A1 INDAZOLES OF CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS DUPONT PHARMACEUTICALS COMPANY (US) 1998-10-08 WO claimed

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-20250051293-A1 NOVEL OXADIAZOLE DERIVATIVE AND USE THEREOF NOX1, NOX3, NOX4 CES2 2952/4885SRD5A2 1722/4885PARP1 1941/4885
US-11932646-B2 Small molecule myristate inhibitors of Bcr-abl and methods of use BCR, ABL1, MCL1 CES2 2267/4885SRD5A2 3965/4885PARP1 2491/4885
US-20260070903-A1 NOVEL PYRIDO[3,4-D]PYRIMIDIN-8-ONE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING, ALLEVIATING, OR TREATING CANCER, COMPRISING SAME CCNC, CKS1B, CKS2 CES2 4658/4885SRD5A2 2172/4885PARP1 923/4885

“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.