SCHEMBL24322801

SCHEMBL24322801

O=S(=O)(c1cc(F)ccc1F)N1CCC2(CC1)NCCO2

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
PKM P14618 2/20 0.53
CNR1 P21554 2/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
PKLR P30613 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL24322524 0.86 NPC1 (0.49) NPC1RAB9APKMCNR1MAPT
SCHEMBL12626167 0.82 PKM (0.50) PKMPOLBMAPTSMN1; SMN2LMNA
SCHEMBL12624069 0.81 NPC1 (0.44) NPC1RAB9APKMCNR1POLB
SCHEMBL13353687 0.81 NPC1 (0.44) NPC1RAB9APKMCNR1POLB
SCHEMBL31310976 0.78 NPC1 (0.70) NPC1RAB9APKMCNR1POLB
SCHEMBL24323773 0.76 ALDH1A1 (0.60) RAB9ASMN1; SMN2KMT2ATP53MEN1
SCHEMBL12656056 0.75 CCR1 (0.41) POLBSMN1; SMN2ATMKMT2ATSHR
SCHEMBL12625892 0.74 POLB (0.62) POLBSMN1; SMN2KMT2AKDM4ETSHR
SCHEMBL12624157 0.74 ALDH1A1 (0.42) PKMPOLBMAPTSMN1; SMN2LMNA
SCHEMBL20019650 0.74 GLA (0.38) NPC1RAB9APOLBMAPTHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 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 (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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN NPC1 2900/4885RAB9A 435/4885PKM 4535/4885

“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.