SCHEMBL30454435

SCHEMBL30454435

Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CCCCNC(=O)C(F)(F)F)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 4/20 0.51
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 5/20 0.49
RAB9A P51151 5/20 0.49
NPC1 O15118 5/20 0.49
HSD17B10 Q99714 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL11905579 1.00 CA9 (0.51) CA9CA12CA1KDM4EALDH1A1
SCHEMBL11905589 1.00 CA9 (0.51) CA9CA12CA1KDM4EALDH1A1
SCHEMBL18220742 0.89 CA12 (0.60) CA9CA12CA1KDM4EALDH1A1
SCHEMBL3098313 0.88 KDM4E (0.49) CA9CA12CA1KDM4EALDH1A1
SCHEMBL23742619 0.86 CA1 (0.64) CA9CA12CA1KDM4EALDH1A1
SCHEMBL17039830 0.86 CA1 (0.64) CA9CA12CA1KDM4EALDH1A1
SCHEMBL30294832 0.86 CA1 (0.64) CA9CA12CA1KDM4EALDH1A1
Bromide SCHEMBL1817816 0.85 CA12 (0.54) CA9CA12CA1KDM4EALDH1A1
SCHEMBL2204833 0.85 KDM4E (0.46) CA9CA12CA1KDM4EALDH1A1
SCHEMBL5664318 0.85 CA12 (0.58) CA9CA12CA1KDM4EALDH1A1

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-20250059139-A1 COMPOUNDS FOR TREATMENT OF CANCER THE JOHNS HOPKINS UNIVERSITY 2025-02-20 US disclosed
EP-4452946-A2 COMPOUNDS FOR TREATMENT OF CANCER The Johns Hopkins University (US) 2024-10-30 EP disclosed
WO-2023122612-A2 COMPOUNDS FOR TREATMENT OF CANCER THE JOHNS HOPKINS UNIVERSITY (US) 2023-06-29 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-20250059139-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, ACP3, TP53 CA9 152/4885CA12 333/4885CA1 1895/4885

“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.