SCHEMBL21789783

SCHEMBL21789783

CCCC[C@H](C)NS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
CA2 P00918 5/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 1/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
CA1 P00915 4/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL9888689 1.00 ADH1B (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL15218449 0.93 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL24665666 0.91 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11326311 0.91 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL15218404 0.86 SMN1; SMN2 (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9888750 0.82 ALDH1A1 (0.50) SMN1; SMN2CA2CA12CA9ALDH1A1
SCHEMBL291881 0.80 CA2 (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1728207 0.80 TP53 (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL291880 0.80 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL27182685 0.78 CA2 (0.40) ADH1BADH1CADH1AADH4ADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2022-12-15 US disclosed
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-08-10 US disclosed
US-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-03-05 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 (5 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-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders CFD, TFPI, CFH ADH1B 773/4885ADH1C 1384/4885ADH1A 1073/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH ADH1B 820/4885ADH1C 1209/4885ADH1A 1285/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH ADH1B 820/4885ADH1C 1209/4885ADH1A 1285/4885
US-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH ADH1B 820/4885ADH1C 1209/4885ADH1A 1285/4885
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH ADH1B 820/4885ADH1C 1209/4885ADH1A 1285/4885

“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.