SCHEMBL15049099

SCHEMBL15049099

Cc1ccc(C(=S)NC(C(=O)O)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 5/20 0.44
HPGD P15428 4/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.44
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.42
ADAM17 P78536 1/20 0.42
SRD5A2 P31213 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CCR6 P51684 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL15049593 0.81 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL1981446 0.72 CA2 (0.63) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL821456 0.72 CA2 (0.63) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL12302109 0.72 CA2 (0.63) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL20214726 0.69 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL11178677 0.68 CA12 (0.52) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL4192188 0.67 NPC1 (0.48) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL6758281 0.67 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4842073 0.67 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL25234873 0.66 NPC1 (0.47) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2793883-B1 TRPM8 ANTAGONISTS DOMPE FARM SPA (IT) 2018-04-18 EP disclosed
US-9856246-B2 TRPM8 antagonists DOMPÉ FARMACEUTICI S.P.A. (IT) 2018-01-02 US disclosed
US-20170129881-A1 TRPM8 ANTAGONISTS DOMPÉ FARMACEUTICI S.P.A. (IT) 2017-05-11 US disclosed
US-9585875-B2 TRPM8 antagonists DOMPÉ FARMACEUTICI S.P.A. (IT) 2017-03-07 US disclosed
US-20140371276-A1 TRPM8 ANTAGONISTS DOMPÉ FARMACEUTICI S.P.A. (IT) 2014-12-18 US disclosed
EP-2793883-A1 TRPM8 ANTAGONISTS Dompe' S.p.A. (IT) 2014-10-29 EP disclosed
WO-2013092711-A1 TRPM8 ANTAGONISTS DOMPE' S.P.A. (IT) 2013-06-27 WO disclosed
EP-2606888-A1 Trpm8 antagonists Dompe' S.P.A. (IT) 2013-06-26 EP 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 (2 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-20170129881-A1 TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM5 ALDH1A1 3061/4885SMN1; SMN2 899/4885NPC1 1011/4885
US-20140371276-A1 TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPV1 ALDH1A1 3189/4885SMN1; SMN2 1028/4885NPC1 1285/4885

“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.