SCHEMBL20595409

SCHEMBL20595409

Cn1c2ccccc2c2c(C(=O)O)cccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 1/20 0.53
GPR3 P46089 1/20 0.50
EGFR P00533 3/20 0.49
ALDH1A1 P00352 6/20 0.49
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
GAA P10253 2/20 0.47
SRC P12931 3/20 0.47
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
PARP1 P09874 1/20 0.44
MYC P01106 1/20 0.44
ALOX15 P16050 1/20 0.43
MEN1 O00255 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
SCHEMBL31670346 0.82 NR4A2 (0.56) KDM4EMAPTHTTEGFRALDH1A1
SCHEMBL7971245 0.82 EGFR (0.53) KDM4EMAPTHTTGPR3EGFR
SCHEMBL24010348 0.79 ALKBH5 (0.56) KDM4EGPR3EGFRALDH1A1NR4A1
SCHEMBL31670425 0.78 KDM4E (0.66) KDM4EMAPTHTTEGFRALDH1A1
Bicarbonate SCHEMBL9678990 0.77 GPR3 (0.76) KDM4EMAPTHTTGPR3EGFR
SCHEMBL18566677 0.76 KDM4E (0.44) KDM4EMAPTHTTEGFRALDH1A1
SCHEMBL11192754 0.76 KDM4E (0.56) KDM4EMAPTHTTGPR3EGFR
SCHEMBL8789423 0.76 HTT (0.49) KDM4EMAPTHTTEGFRALDH1A1
SCHEMBL6531635 0.75 LMNA (0.42) KDM4EALDH1A1NR4A1NR4A2NR4A3
SCHEMBL24010332 0.75 TSHR (0.59) KDM4EMAPTHTTALDH1A1HPGD

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-20220347173-A1 METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS BLADE THERAPEUTICS INC (US) 2022-11-03 US disclosed
US-20210347727-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. 2021-11-11 US disclosed
US-20210347727-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. 2021-11-11 US disclosed
CN-112703188-A Method for treating liver fibrosis using calpain inhibitor 布莱德治疗公司 2021-04-23 CN disclosed
WO-2018236913-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-12-27 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-20210347727-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPN1, CAPNS1, CAPN2 KDM4E 1884/4885MAPT 507/4885HTT 1781/4885
US-20220347173-A1 METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS CAPNS1, CAPN9, CAPN2 KDM4E 2666/4885MAPT 4077/4885HTT 4247/4885

“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.