SCHEMBL3574019

SCHEMBL3574019

O=C(O)c1cc(N=C=S)c(C(=O)O)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.40
TP53 P04637 1/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CISD1 Q9NZ45 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
AKR1C2 P52895 2/20 0.35
AKR1C1 Q04828 2/20 0.35

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
SCHEMBL9492204 0.85 KEAP1 (0.38) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL3002544 0.79 KDM4E (0.37) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3586670 0.79 KEAP1 (0.37) AKR1C2AKR1C1KDM4EMEN1KMT2A
SCHEMBL2901109 0.77 GAA (0.42) ALDH1A1TSHRSMN1; SMN2CA12CA1
SCHEMBL68449 0.76 ALDH1A1 (0.61) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL3009294 0.75 LCK (0.49) ALDH1A1CA12CA1CA2CA3
SCHEMBL2903560 0.75 ALDH1A1 (0.39) ALDH1A1TSHRTP53SMN1; SMN2KDM4E
SCHEMBL10370702 0.74 KDM4E (0.43) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL13041425 0.74 TDP1 (0.41) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL3396994 0.74 TSHR (0.52) ALDH1A1TSHRTP53CASP1SMN1; SMN2

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-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 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-20100298324-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 ALDH1A1 204/4885TSHR 1645/4885TP53 3685/4885

“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.