SCHEMBL19782603

SCHEMBL19782603

Cc1cc(Cl)nc2sc(N)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
HTT P42858 1/20 0.45
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 3/20 0.37
PDE10A Q9Y233 1/20 0.37
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.33
CDC7 O00311 1/20 0.33
PLK4 O00444 1/20 0.33
IKBKB O14920 1/20 0.33
AURKA O14965 1/20 0.33
CHUK O15111 1/20 0.33
ROCK2 O75116 1/20 0.33
FYN P06241 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33

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
SCHEMBL30189823 1.00 HSD17B10 (0.49) HSD17B10HTTALDH1A1SMN1; SMN2TP53
SCHEMBL5309925 0.81 HSD17B10 (0.52) HSD17B10HTTALDH1A1SMN1; SMN2TP53
SCHEMBL28383665 0.81 GAA (0.35) HSD17B10ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL30189809 0.79 LMNA (0.33) HSD17B10CYP3A4LMNAADORA3
SCHEMBL19783530 0.79 LMNA (0.33) HSD17B10CYP3A4LMNAADORA3
SCHEMBL25291816 0.78 ALDH1A1 (0.41) HSD17B10HTTALDH1A1SMN1; SMN2LMNA
SCHEMBL19782827 0.78 HTT (0.53) HSD17B10HTTALDH1A1SMN1; SMN2TP53
SCHEMBL22392512 0.77 CYP3A4 (0.45) HSD17B10ALDH1A1SMN1; SMN2CYP3A4LMNA
SCHEMBL30421066 0.77 CYP3A4 (0.45) HSD17B10ALDH1A1SMN1; SMN2CYP3A4LMNA
Bromide SCHEMBL28941281 0.76 HTT (0.51) HSD17B10HTTALDH1A1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111630051-B Olefin spiro compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-12-26 CN disclosed
EP-3704112-B1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-09-27 EP disclosed
EP-3704112-B1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-09-27 EP disclosed
CN-111511731-B Olefin compounds as modulators of the farnesol X receptor 百时美施贵宝公司 2023-05-23 CN disclosed
EP-3704106-B1 ALKENE COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-04-12 EP disclosed
US-11286252-B2 Alkene spirocyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-03-29 US disclosed
US-11168079-B2 Alkene compounds as farnesoid x receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-09 US disclosed
US-11168079-B2 Alkene compounds as farnesoid x receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-09 US disclosed
US-20210179599-A1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-06-17 US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20200283430-A1 ALKENE COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2020-09-10 US disclosed
US-20200283430-A1 ALKENE COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2020-09-10 US disclosed
CN-111630051-A Spirocyclic compounds of alkenes as farnesoid X receptor modulators 百时美施贵宝公司 2020-09-04 CN disclosed
CN-111511731-A Olefin compounds as farnesoid X receptor modulators 百时美施贵宝公司 2020-08-07 CN disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 HSD17B10 2283/4885HTT 2480/4885ALDH1A1 1618/4885
US-11286252-B2 Alkene spirocyclic compounds as farnesoid X receptor modulators NR1H2, NR1H4, NR1H3 HSD17B10 363/4885HTT 4141/4885ALDH1A1 1437/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 HSD17B10 2146/4885HTT 2559/4885ALDH1A1 1598/4885
US-20210179599-A1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H2, NR1H4, NR1H3 HSD17B10 363/4885HTT 4141/4885ALDH1A1 1437/4885
US-11168079-B2 Alkene compounds as farnesoid x receptor modulators FXR1, NR1H2, NR1H4 HSD17B10 358/4885HTT 4422/4885ALDH1A1 2224/4885
US-20200283430-A1 ALKENE COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H2, NR1H4 HSD17B10 358/4885HTT 4422/4885ALDH1A1 2224/4885

“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.