SCHEMBL9958346

SCHEMBL9958346

C=CC[S+]([O-])c1cccc(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
UNG P13051 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
FOLH1 Q04609 1/20 0.40
AKR1C3 P42330 1/20 0.39
KMO O15229 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FBP1 P09467 1/20 0.38
FFAR1 O14842 1/20 0.38
APEX1 P27695 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
Hydrochloric Acid SCHEMBL9958863 0.98 TP53 (0.41) TP53UNGCA12CA1CA2
SCHEMBL9958859 0.86 ALDH1A1 (0.44)
SCHEMBL25504336 0.79 KMT2A (0.45) TP53UNGCA12CA1CA2
SCHEMBL12506348 0.76 CCNA2 (0.30)
SCHEMBL12506346 0.76 ELANE (0.46) HPGDHSD17B10RAB9A
SCHEMBL602525 0.76 ALDH1A1 (0.36)
SCHEMBL11817613 0.76 FOLH1 (0.49) CA12CA1CA2CA6CA9
SCHEMBL1447598 0.76 CA12 (0.52) TP53UNGCA12CA1CA2
SCHEMBL88855 0.75 ALDH1A1 (0.33)
SCHEMBL12506361 0.75 MCL1 (0.34) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455657-B2 Process for the preparation of 3-alkylsulfinylbenzoyl derivatives BAYER CROPSCIENCE AG (DE) 2013-06-04 US claimed
US-20120165540-A1 PROCESS FOR THE PREPARATION OF 3-ALKYLSULFINYLBENZOYL DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-06-28 US claimed
US-8455657-B2 Process for the preparation of 3-alkylsulfinylbenzoyl derivatives BAYER CROPSCIENCE AG (DE) 2013-06-04 US disclosed
US-20120165540-A1 PROCESS FOR THE PREPARATION OF 3-ALKYLSULFINYLBENZOYL DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-06-28 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-20120165540-A1 PROCESS FOR THE PREPARATION OF 3-ALKYLSULFINYLBENZOYL DERIVATIVES CBR3, CBR1, CYP1B1 TP53 1706/4885UNG 1662/4885CA12 1876/4885

“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.