SCHEMBL20549321

SCHEMBL20549321

COc1ccc(S(N)(=O)=O)c(OC)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
PKM P14618 3/20 0.46
CA12 O43570 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA1 P00915 2/20 0.46
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
RXFP1 Q9HBX9 1/20 0.43
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL691733 0.89 ALDH1A1 (0.56) ALDH1A1PKMCA12CA2CA9
SCHEMBL4608472 0.85 PKM (0.46) ALDH1A1PKMCA12CA2CA9
SCHEMBL4207227 0.85 CA2 (0.49) ALDH1A1PKMCA12CA2CA9
Hydrochloric Acid SCHEMBL4609743 0.84 PKM (0.45) ALDH1A1PKMCA12CA2CA9
SCHEMBL8187498 0.81 TRPV4 (0.51) ALDH1A1PKMNPSR1MEN1CYP1A2
SCHEMBL1939161 0.77 PDIA6 (0.42) ALDH1A1PKMCA12CA2CA9
SCHEMBL28301192 0.76 MAPT (0.50) PKMCA12CA2CA9CA1
SCHEMBL11153056 0.76 CA2 (0.50) ALDH1A1PKMCA12CA2CA9
SCHEMBL791503 0.76 CA2 (0.50) PKMCA12CA2CA9CA1
SCHEMBL4609865 0.74 PKM (0.43) ALDH1A1PKMCA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273241-B2 Cortistatin analogues and syntheses and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-04-30 US disclosed
US-20180319814-A1 CORTISTATIN ANALOGUES AND SYNTHESES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-11-08 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 (2 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-20180319814-A1 CORTISTATIN ANALOGUES AND SYNTHESES AND USES THEREOF CDK19, CDK9, CDK1 ALDH1A1 3546/4885PKM 1488/4885CA12 1766/4885
US-10273241-B2 Cortistatin analogues and syntheses and uses thereof CDK19, CDK9, CDK1 ALDH1A1 3546/4885PKM 1488/4885CA12 1766/4885

“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.