Cyclopentane

Cyclopentane

SCHEMBL4192574

C1CCCC1.CC(C)NCc1ccccc1NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nn2C)s1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
PTGES2 Q9H7Z7 1/20 0.46
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
STIM1 Q13586 2/20 0.38

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
SCHEMBL4192394 0.90 RAB9A (0.46) RAB9ANPC1PTGES2HDAC3HDAC4
SCHEMBL4194021 0.90 RAB9A (0.46) RAB9ANPC1PTGES2HDAC3HDAC4
SCHEMBL4190975 0.89 RAB9A (0.47) RAB9ANPC1PTGES2HDAC3HDAC4
Cycloheptane SCHEMBL4204049 0.85 PTGES2 (0.65) RAB9ANPC1PTGES2ALDH1A1RXFP1
Cyclopentane SCHEMBL4197408 0.77 GHSR (0.49) RAB9ANPC1PTGES2ALDH1A1KDM4E
SCHEMBL4195272 0.76 PTGES2 (0.57) RAB9ANPC1PTGES2ALDH1A1KDM4E
SCHEMBL4197376 0.76 PTGES2 (0.57) RAB9ANPC1PTGES2ALDH1A1KDM4E
Cyclopentane SCHEMBL4190609 0.75 NPC1 (0.48) RAB9ANPC1KDM4ERXFP1MEN1
Cyclohexane SCHEMBL4188186 0.75 MMP13 (0.44) RAB9ANPC1PTGES2ALDH1A1RXFP1
Cyclohexane SCHEMBL4198294 0.74 NPC1 (0.44) RAB9ANPC1PTGES2ALDH1A1MEN1

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-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 US claimed

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-20090215764-A1 Antimicrobial agents TUFM, RPS17, HARS1 RAB9A 4342/4885NPC1 1859/4885PTGES2 4392/4885

“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.