SCHEMBL3720799

SCHEMBL3720799

COC(=O)c1ccc(S(C)(=O)=O)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.60
MAPT P10636 3/20 0.57
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP2C9 P11712 3/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
XDH P47989 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL8729586 0.87 SMN1; SMN2 (0.57) VCAM1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL29221749 0.87 MAPT (0.57) VCAM1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL9093802 0.85 TRPV4 (0.58) VCAM1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL30545664 0.85 TRPV4 (0.58) VCAM1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL30708151 0.85 CA12 (0.62) MAPTLMNAGAAPKMCA1
SCHEMBL3714733 0.85 CA12 (0.62) MAPTLMNAGAAPKMCA1
SCHEMBL12492782 0.81 VCAM1 (0.61) VCAM1MAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL21027865 0.81 VCAM1 (0.61) VCAM1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL8169741 0.80 VCAM1 (0.60) VCAM1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL9436677 0.80 KDM4E (0.67) VCAM1MAPTKDM4ESMN1; SMN2HSD17B10

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
CN-117561058-A CDK2 inhibitors and methods of use thereof 塞迪拉治疗股份有限公司 2024-02-13 CN disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 WO 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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR VCAM1 4734/4885MAPT 1172/4885KMT2A 3940/4885

“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.