SCHEMBL22014822

SCHEMBL22014822

Cc1ccc(S(=O)(=O)N2C[C@H]3CN(C(=O)CS(=O)(=O)CCN)C[C@H]3C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
MDM2 Q00987 1/20 0.48
TSHR P16473 1/20 0.46
YAP1 P46937 1/20 0.45
TEAD4 Q15561 1/20 0.45
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL22014825 0.73 SMN1; SMN2 (0.38) TSHRGAAALDH1A1KMT2ALMNA
SCHEMBL22014833 0.73 RAB9A (0.40) NPC1RAB9AGAAKMT2ALMNA
SCHEMBL22014827 0.73 KMT2A (0.46) MDM2ALDH1A1KMT2ALMNA
SCHEMBL22014820 0.71 ACACB (0.40) YAP1TEAD4PKM
SCHEMBL21510197 0.71 PKM (0.54) TSHRGAAPKMALDH1A1KMT2A
SCHEMBL22014834 0.71 KMT2A (0.30) KMT2A
SCHEMBL29657316 0.70 PKM (0.61) TSHRGAAPKMALDH1A1KMT2A
SCHEMBL31629999 0.70 PKM (0.61) TSHRGAAPKMALDH1A1KMT2A
SCHEMBL21510190 0.70 ALDH1A1 (0.53) NPC1RAB9ATSHRPKMALDH1A1
SCHEMBL19011448 0.69 PKM (0.59) NPC1RAB9AMDM2TSHRGAA

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-20220017516-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-01-20 US disclosed
WO-2020099886-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-05-22 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-20220017516-A1 LOX INHIBITORS LOXL1, LOX, LOXL2 NPC1 1690/4885RAB9A 3337/4885MDM2 1909/4885

“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.