SCHEMBL30122985

SCHEMBL30122985

C[S@+]([O-])c1c(C(F)(F)F)ccc(C(=O)O)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.40
NOTUM Q6P988 2/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
GRIK1 P39086 1/20 0.36
CES2 O00748 1/20 0.36
TSHR P16473 1/20 0.35
P2RX7 Q99572 4/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
ASPH Q12797 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 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
SCHEMBL417104 0.83 TAS2R14 (0.40) NOTUMCES2TSHRKDM4EALDH1A1
SCHEMBL9949591 0.79 TDP1 (0.39) NOTUMCES2KDM4EALDH1A1HPGD
SCHEMBL20711420 0.76 TAS2R14 (0.48) CLCN2NOTUMPDK1PDK2PDK3
SCHEMBL20702493 0.74 CLCN2 (0.43) CLCN2NOTUMPDK1PDK2PDK3
SCHEMBL30307023 0.74 CLCN2 (0.43) CLCN2NOTUMPDK1PDK2PDK3
SCHEMBL19893742 0.74 CLCN2 (0.46) CLCN2NOTUMPDK1PDK2PDK3
SCHEMBL15786321 0.74 FFAR2 (0.37) TSHRCTSSCTSK
SCHEMBL29913774 0.74 KDM4E (0.38) TSHRKDM4EALDH1A1
SCHEMBL18076228 0.74 KDM4E (0.38) TSHRKDM4EALDH1A1
SCHEMBL29913789 0.74 KDM4E (0.38) TSHRKDM4EALDH1A1

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-20240300908-A1 CHIRAL 3-SULFINYL BENZOIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 2024-09-12 US disclosed
EP-4367106-A1 CHIRAL 3-SULFINYL BENZOIC ACIDS Bayer Aktiengesellschaft (DE) 2024-05-15 EP disclosed
CN-117616016-A Chiral 3-sulfinyl benzoic acid 拜耳公司 2024-02-27 CN disclosed
WO-2023280773-A1 CHIRAL 3-SULFINYL BENZOIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 2023-01-12 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 (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-20240300908-A1 CHIRAL 3-SULFINYL BENZOIC ACIDS STS, ARSA, TST CLCN2 1742/4885NOTUM 818/4885PDK1 2587/4885

“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.