SCHEMBL11264181

SCHEMBL11264181

COc1ccc(C(C)=O)cc1S(C)(=O)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
PKM P14618 1/20 0.55
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CREBBP Q92793 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 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
SCHEMBL2565798 0.86 PKM (0.73) SMN1; SMN2PKMALDH1A1KMT2ANPSR1
SCHEMBL7144945 0.85 PKM (0.77) PKMALDH1A1KMT2AMEN1NPSR1
SCHEMBL31172621 0.85 PKM (0.54) PKMALDH1A1KMT2AMEN1NPSR1
SCHEMBL31401229 0.85 PKM (0.58) SMN1; SMN2PKMALDH1A1NPSR1LMNA
SCHEMBL8729586 0.85 SMN1; SMN2 (0.57) SMN1; SMN2PKMALDH1A1KMT2AMEN1
SCHEMBL28042445 0.85 PKM (0.54) PKMALDH1A1KMT2AMEN1NPSR1
SCHEMBL20647826 0.85 SMN1; SMN2 (0.57) SMN1; SMN2PKMALDH1A1NPSR1LMNA
SCHEMBL11265480 0.81 SMN1; SMN2 (0.53) SMN1; SMN2PKMALDH1A1NPSR1TSHR
SCHEMBL997219 0.81 SMN1; SMN2 (0.53) SMN1; SMN2PKMALDH1A1KMT2AMEN1
SCHEMBL16999093 0.80 RORC (0.45) SMN1; SMN2LMNACREBBP

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-9505722-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-11-29 US disclosed
US-20150225355-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2015-08-13 US disclosed
US-4327224-A ADRENERGIC BLOCKING AGENTS STERLING DRUG INC. (US) 1982-04-27 US disclosed
US-4124722-A USING AN A-((ALKYLAMINO)ALKYL)-4-HYDROXY-3-(ALKYL-THIO, -SULFINYL -SULFONYL)-BENZENEMETHANOL STERLING DRUG INC. (US) 1978-11-07 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-20150225355-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 SMN1; SMN2 4568/4885PKM 4764/4885ALDH1A1 2038/4885

“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.