SCHEMBL13615358

SCHEMBL13615358

Cc1n[nH]c(-c2ccccc2)c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.46
AKT2 P31751 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
PDE10A Q9Y233 2/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALPL P05186 1/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL28849703 0.86 KMT2A (0.46) CHEK1AKT2SMN1; SMN2TP53KDM4E
SCHEMBL22637413 0.85 CA12 (0.46) SMN1; SMN2ALPLRAB9AMAPK1DHODH
SCHEMBL4765285 0.82 SMN1; SMN2 (0.56) CYP1A2CYP2C19SMN1; SMN2TP53KDM4E
SCHEMBL12457298 0.81 PIK3CD (0.41) SMN1; SMN2KDM4EALDH1A1HPGDPDE10A
SCHEMBL19209480 0.81 PDE4D (0.59) SMN1; SMN2TP53KDM4EALDH1A1HPGD
SCHEMBL7510498 0.80 TP53 (0.43) SMN1; SMN2TP53KDM4EALDH1A1HPGD
SCHEMBL17784741 0.79 CHEK1 (0.43) CHEK1AKT2SMN1; SMN2TP53KDM4E
SCHEMBL22654497 0.79 KDR (0.39) CHEK1AKT2SMN1; SMN2TP53KDM4E
SCHEMBL21200235 0.79 TDP1 (0.60) SMN1; SMN2TP53KDM4EALDH1A1HPGD
SCHEMBL17784788 0.78 KDM4E (0.37) CHEK1AKT2SMN1; SMN2TP53KDM4E

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-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-7612069-B2 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-03 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 US disclosed
CN-1202828-A Substituted pyrzolyl benzenesulfonanides for use in veterinary SEARLE & CO (US) 1998-12-23 CN 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-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CHEK1 2592/4885AKT2 1201/4885CYP1A2 4836/4885
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BACE1, APP, BACE2 CHEK1 4042/4885AKT2 617/4885CYP1A2 2208/4885

“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.