SCHEMBL21200611

SCHEMBL21200611

COC(=O)c1cc(Cl)nc(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
HIF1A Q16665 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
LMNA P02545 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
XDH P47989 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL29867038 0.89 KDM4E (0.52) KDM4EALDH1A1L3MBTL1MAPK1CA12
SCHEMBL21200349 0.89 KDM4E (0.52) KDM4EALDH1A1L3MBTL1MAPK1CA12
SCHEMBL3860583 0.86 ALDH1A1 (0.49) KDM4EALDH1A1L3MBTL1MAPK1TSHR
SCHEMBL569249 0.85 ALDH1A1 (0.59) KDM4EALDH1A1L3MBTL1TSHRCA12
Hydrochloric Acid SCHEMBL29890892 0.83 ALDH1A1 (0.57) KDM4EALDH1A1L3MBTL1TSHRCA12
SCHEMBL2261359 0.83 ALDH1A1 (0.46) KDM4EALDH1A1L3MBTL1MAPK1TSHR
SCHEMBL20913863 0.82 ALOX15 (0.43) KDM4EALDH1A1MAPK1TSHRALOX15
SCHEMBL29831453 0.82 ALOX15 (0.43) KDM4EALDH1A1MAPK1TSHRALOX15
SCHEMBL21199852 0.81 TSHR (0.71) KDM4EALDH1A1MAPK1TSHRALOX15
SCHEMBL3853608 0.81 KDM4E (0.51) KDM4EALDH1A1L3MBTL1ALOX15CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324835-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. 2022-10-13 US disclosed
EP-3743063-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF Nurix Therapeutics, Inc. (US) 2020-12-02 EP disclosed
WO-2019148005-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. (US) 2019-08-01 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-20220324835-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF CBLB, CBL, CBLC KDM4E 751/4885ALDH1A1 4576/4885L3MBTL1 220/4885

“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.