SCHEMBL21788669

SCHEMBL21788669

CS(=O)(=O)OCC1(COS(C)(=O)=O)CCc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.36
MAOB P27338 1/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 7/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
APP P05067 1/20 0.34
HDAC9 Q9UKV0 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL29556714 0.78 KDM1A (0.44) KDM1AMAOBTSHRTDP1MEN1
SCHEMBL8734058 0.78 KDM1A (0.44) KDM1AMAOBTSHRTDP1MEN1
SCHEMBL22282073 0.77 TACR1 (0.36) KDM1AMAOBTDP1MEN1KMT2A
SCHEMBL2150153 0.72 SIGMAR1 (0.45) KDM1AMAOBTSHRTDP1SIGMAR1
SCHEMBL7743674 0.70 KDM1A (0.41) KDM1AMAOBTSHRTDP1MEN1
SCHEMBL16726981 0.70 APP (0.43) ALDH1A1APP
SCHEMBL7782464 0.69 ESR2 (0.48) KDM1AMAOBSIGMAR1
SCHEMBL9200845 0.69 KMT2A (0.38) KDM1ATSHRMEN1KMT2AALDH1A1
SCHEMBL18091475 0.69 OPRM1 (0.36) MAOBHDAC9CYP1A2CYP3A4CYP2D6
SCHEMBL8735158 0.69 MEN1 (0.48) KDM1ATSHRMEN1KMT2ASIGMAR1

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-11332492-B2 CD73 inhibitors and therapeutic uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-05-17 US disclosed
US-11332492-B2 CD73 inhibitors and therapeutic uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-05-17 US disclosed
US-20210253621-A1 CD73 INHIBITORS AND THERAPEUTIC USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2021-08-19 US disclosed
US-20210253621-A1 CD73 INHIBITORS AND THERAPEUTIC USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2021-08-19 US disclosed
WO-2020047082-A1 CD73 INHIBITORS AND THERAPEUTIC USES THEREOF Eternity Bioscience Inc. (US) 2020-03-05 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 (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-20210253621-A1 CD73 INHIBITORS AND THERAPEUTIC USES THEREOF ENTPD5, ENTPD1, NT5E KDM1A 1945/4885MAOB 217/4885TSHR 1799/4885
US-11332492-B2 CD73 inhibitors and therapeutic uses thereof ENTPD5, ENTPD1, NT5E KDM1A 1945/4885MAOB 217/4885TSHR 1799/4885

“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.