SCHEMBL21758201

SCHEMBL21758201

NC(=O)CC(Cc1ccccc1)C(O)=S

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CPA1 P15085 5/20 0.53
CPA3 P15088 3/20 0.53
CPB1 P15086 1/20 0.53
CPB2 Q96IY4 1/20 0.53
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
FOLH1 Q04609 1/20 0.49
EPHX1 P07099 1/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
MME P08473 1/20 0.46
ANPEP P15144 1/20 0.44
RNPEP Q9H4A4 1/20 0.44

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
SCHEMBL5607914 0.85 CYP1A2 (0.59) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL9029155 0.85 CPA1 (0.72) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL7540835 0.85 CPA1 (0.72) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL6154517 0.82 CYP1A2 (0.55) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL6154524 0.82 CYP1A2 (0.55) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL6155724 0.82 CYP1A2 (0.55) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL7540825 0.81 CYP1A2 (0.52) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL11262596 0.81 TSHR (0.59) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL11239071 0.81 TSHR (0.59) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL11129057 0.81 TSHR (0.59) CYP1A2CPA1CPA3CPB1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091423-B2 Reagents and methods for esterification WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2021-08-17 US disclosed
US-20200190011-A1 Reagents and Methods for Esterification WISCONSIN ALUMNI RESEARCH FOUNDATION 2020-06-18 US disclosed
US-10577303-B1 Reagents and methods for esterification WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2020-03-03 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 (3 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-20200190011-A1 Reagents and Methods for Esterification ADCY1, ADCY4, ADCY7 CYP1A2 2117/4885CPA1 658/4885CPA3 1102/4885
US-11091423-B2 Reagents and methods for esterification ADCY1, ADCY4, ADCY7 CYP1A2 2117/4885CPA1 658/4885CPA3 1102/4885
US-10577303-B1 Reagents and methods for esterification ADCY1, ADCY4, ADCY7 CYP1A2 2117/4885CPA1 658/4885CPA3 1102/4885

“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.