SCHEMBL4980247

SCHEMBL4980247

C[C@@H](CS(C)(=O)=O)NC(=O)c1c(Cl)cccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
ITGB1 P05556 3/20 0.42
ITGA4 P13612 3/20 0.42
PBRM1 Q86U86 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 1/20 0.40
GPR139 Q6DWJ6 2/20 0.39
SLC16A3 O15427 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SLC6A9 P48067 1/20 0.38
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
LMNA P02545 2/20 0.37
HPGD P15428 2/20 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
SCHEMBL4978546 0.85 ALDH1A1 (0.42) MEN1KMT2ARAB9AALDH1A1LMNA
SCHEMBL2162172 0.82 ITGB1 (0.44) TAS1R3TAS1R1TAS1R2ITGB1ITGA4
SCHEMBL551661 0.82 ITGB1 (0.44) TAS1R3TAS1R1TAS1R2ITGB1ITGA4
SCHEMBL551795 0.81 PBRM1 (0.49) TAS1R3TAS1R1TAS1R2ITGB1ITGA4
SCHEMBL4975149 0.81 ITGB1 (0.43) TAS1R3TAS1R1TAS1R2ITGB1ITGA4
SCHEMBL550830 0.79 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2ITGB1ITGA4
SCHEMBL1188658 0.76 PTGES (0.41)
SCHEMBL16997850 0.75 TP53 (0.42) RAB9AALDH1A1LMNACYP1A2CYP3A4
SCHEMBL516136 0.75 TP53 (0.40) RAB9AALDH1A1LMNACYP1A2CYP3A4
SCHEMBL196145 0.75 TP53 (0.40) RAB9AALDH1A1LMNACYP1A2CYP3A4

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-20080045727-A1 Chiral 3-Halophthalic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2008-02-21 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-20080045727-A1 Chiral 3-Halophthalic Acid Derivatives HDHD5, CRYZ, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TAS1R3 4145/4885TAS1R1 4747/4885TAS1R2 4648/4885

“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.