SCHEMBL10240973

SCHEMBL10240973

O=C(O)COC1CCC(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR35 Q9HC97 1/20 0.41
HAO1 Q9UJM8 1/20 0.40
DGAT1 O75907 1/20 0.39
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
CYP2C9 P11712 1/20 0.39
PTGIR P43119 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL3668487 0.86 ESR2 (0.49) FFAR4CYP2C9
SCHEMBL3668486 0.86 ESR2 (0.49) FFAR4CYP2C9
SCHEMBL600741 0.82 GPR119 (0.45) MRGPRX4MEN1KMT2AHAO1CYP2C9
SCHEMBL600740 0.82 GPR119 (0.45) MRGPRX4MEN1KMT2AHAO1CYP2C9
SCHEMBL901209 0.81 TSHR (0.57) MRGPRX4NPC1RAB9AHAO1CYP2C9
SCHEMBL2321634 0.81 TSHR (0.57) MRGPRX4NPC1RAB9AHAO1CYP2C9
SCHEMBL901207 0.81 TSHR (0.57) MRGPRX4NPC1RAB9AHAO1CYP2C9
SCHEMBL27282968 0.81 MRGPRX4 (0.41) MRGPRX4FFAR4KMT2AHAO1DGAT1
Hydrochloric Acid SCHEMBL4290507 0.79 TSHR (0.55) MRGPRX4NPC1RAB9AHAO1CYP2C9
SCHEMBL11190301 0.79 CA1 (0.44) MRGPRX4NPC1RAB9AHAO1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 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-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF OXA1L, CYP11B2, CYP11B1 MRGPRX4 4590/4885NPC1 3170/4885RAB9A 3120/4885

“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.