SCHEMBL19684853

SCHEMBL19684853

CCCCOc1cc(Br)c(F)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RARA P10276 1/20 0.48
RARB P10826 1/20 0.48
PTPN11 Q06124 5/20 0.47
S1PR3 Q99500 1/20 0.47
THRA P10827 3/20 0.47
THRB P10828 3/20 0.47
MCL1 Q07820 1/20 0.46
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 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
SCHEMBL18021138 0.87 ESR1 (0.51) TSHRHSD17B10TP53KMT2A
SCHEMBL19684645 0.84 RARB (0.48) RARARARBPTPN11S1PR3MCL1
SCHEMBL19684647 0.83 HTT (0.49) RARARARBPTPN11S1PR3THRA
SCHEMBL14316273 0.83 RARB (0.52) RARARARBPTPN11S1PR3MCL1
SCHEMBL19684923 0.82 HTT (0.41) THRATHRBKDM4EMEN1GAA
SCHEMBL10268417 0.82 TSHR (0.51) TSHRHSD17B10PTPN11S1PR3THRA
SCHEMBL20107955 0.81 CNR2 (0.50)
SCHEMBL22987098 0.81 SMN1; SMN2 (0.40) TSHRHSD17B10KDM4EMEN1KMT2A
SCHEMBL12588846 0.81 SCN9A (0.41) THRATHRBKDM4EMEN1GAA
SCHEMBL8167721 0.80 PTPN11 (0.61) TSHRHSD17B10PTPN11S1PR3PTPN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3532468-B1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AG (DE) 2022-03-23 EP disclosed
EP-3553052-A1 5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL DERIVATIVES FOR THE TREATMENT OF CANCER Bayer AG (DE) 2019-10-16 EP disclosed
EP-3553052-A1 5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL DERIVATIVES FOR THE TREATMENT OF CANCER Bayer AG (DE) 2019-10-16 EP disclosed
WO-2018077923-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2018-05-03 WO disclosed
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP TSHR 4582/4885HSD17B10 3424/4885RARA 2303/4885

“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.