SCHEMBL22216672

SCHEMBL22216672

CC(C)(C)OC(Cc1ccc(-c2ccc(F)cc2)cc1)(C(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.41
ACE P12821 1/20 0.41
MMP2 P08253 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
BCL2L1 Q07817 1/20 0.40
BAD Q92934 1/20 0.40
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
HPGD P15428 1/20 0.38
FFAR1 O14842 1/20 0.38
BLM P54132 1/20 0.37
KDM4E B2RXH2 1/20 0.37
DPP4 P27487 2/20 0.37
NT5E P21589 1/20 0.36
RIPK1 Q13546 2/20 0.36
PPARA Q07869 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL21602301 0.88 LMNA (0.44) MMEACECTSSCTSKHPGD
SCHEMBL24835816 0.85 RARB (0.46)
SCHEMBL20333387 0.84 CYP17A1 (0.45) MMP12BLMNT5EPPARA
SCHEMBL22216490 0.81 NT5E (0.39) BLMNT5E
SCHEMBL20347148 0.81 BLM (0.41) HPGDFFAR1BLMPPARASMN1; SMN2
SCHEMBL20347416 0.81 BLM (0.45) HPGDBLMKDM4EPPARASMN1; SMN2
SCHEMBL24835822 0.81 MME (0.40) MMEACEMMP2MMP8MMP12
SCHEMBL19961863 0.80 SMN1; SMN2 (0.48) MMP8BLMPPARASMN1; SMN2
SCHEMBL22216491 0.80 MME (0.40) MMEACEMMP2MMP8MMP12
SCHEMBL20350670 0.80 PPARA (0.43) KDM4EPPARA

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-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-06-15 US disclosed
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2020-07-16 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-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 MME 67/4885ACE 207/4885MMP2 743/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 MME 67/4885ACE 207/4885MMP2 743/4885

“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.