SCHEMBL257565

SCHEMBL257565

COc1cc(C)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ACHE P22303 2/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
PTGS1 P23219 1/20 0.40
PHGDH O43175 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TMPRSS4 Q9NRS4 2/20 0.38
EPHX2 P34913 1/20 0.38
KDM1A O60341 1/20 0.38
CYP3A4 P08684 1/20 0.37
PTPN1 P18031 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL679095 0.86 ALDH1A1 (0.50) RXRARXRBRXRGALDH1A1PTGS1
SCHEMBL5782136 0.86 ALDH1A1 (0.58) RXRARXRBRXRGALDH1A1PTGS1
SCHEMBL21893784 0.81 RAPGEF4 (0.39) ALDH1A1RAPGEF4CYP3A4NOTUMMAPT
SCHEMBL13180039 0.81 RAPGEF4 (0.39) RAPGEF4L3MBTL1NOTUMLMNA
SCHEMBL6370544 0.80 ALDH1A1 (0.43) RXRARXRBALDH1A1ACHERAB9A
SCHEMBL2341199 0.79 RAPGEF4 (0.38) RAPGEF4PHGDHNOTUMMAPTLMNA
SCHEMBL24355295 0.79 PTPN1 (0.38) RXRARXRBRXRGALDH1A1ACHE
SCHEMBL30973422 0.79 SOD1 (0.37) RXRARXRBRXRGALDH1A1RAPGEF4
SCHEMBL30973525 0.79 SOD1 (0.37) RXRARXRBRXRGALDH1A1RAPGEF4
SCHEMBL12255396 0.78 RXRA (0.43) RXRARXRBRXRGALDH1A1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 US disclosed
US-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 US disclosed
EP-3943087-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2022-01-26 EP disclosed
EP-2968337-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2021-07-21 EP disclosed
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 US disclosed
EP-3763706-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF Boehringer Ingelheim Animal Health USA Inc. (US) 2021-01-13 EP disclosed
EP-3453702-A2 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF Merial, Inc. (US) 2019-03-13 EP disclosed
US-9938204-B2 Intermolecular C-H silylation of unactivated arenes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-10 US disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 US disclosed
US-7230133-B2 Malonamides and malonamide derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-12 US disclosed
US-7230133-B2 Malonamides and malonamide derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-12 US disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007062342-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 US disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
WO-2002040445-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-05-23 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 (6 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-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-2, H1-4 RXRA 2242/4885RXRB 1339/4885RXRG 1935/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A RXRA 2879/4885RXRB 3349/4885RXRG 2950/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A RXRA 2879/4885RXRB 3349/4885RXRG 2950/4885
US-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE DHFR, DPYD, CYP2D6 RXRA 4170/4885RXRB 4332/4885RXRG 4358/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A RXRA 2879/4885RXRB 3349/4885RXRG 2950/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA RXRA 15/4885RXRB 42/4885RXRG 37/4885

“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.