SCHEMBL5018299

SCHEMBL5018299

COc1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](N)CC(=O)N(CCN)CCN)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSD P07339 11/20 0.48
TRPM8 Q7Z2W7 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PSMB8 P28062 1/20 0.42
PSMB5 P28074 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
SCHEMBL13289081 0.94 TRPM8 (0.53) CTSDTRPM8SMN1; SMN2MEN1KMT2A
SCHEMBL5023807 0.93 SIGMAR1 (0.44) CTSDTRPM8PSMB8PSMB5
SCHEMBL5018177 0.91 MMP2 (0.44) CTSDTRPM8ALDH1A1SMN1; SMN2KMT2A
SCHEMBL5018436 0.91 SMN1; SMN2 (0.47) CTSDTRPM8ALDH1A1SMN1; SMN2MEN1
SCHEMBL5018314 0.88 OPRK1 (0.43) MMP1PSMB8PSMB5
SCHEMBL5018549 0.88 PSMB5 (0.40) CTSDTRPM8ALDH1A1SMN1; SMN2MEN1
SCHEMBL5018273 0.87 CAPN1 (0.42) CTSDMEN1KMT2APSMB8PSMB5
SCHEMBL5018347 0.87 HPGD (0.43) ALDH1A1MEN1KMT2APSMB8PSMB5
SCHEMBL5018311 0.86 MEN1 (0.43) CTSDALDH1A1MEN1KMT2APSMB8
SCHEMBL5018271 0.85 PSMB8 (0.43) CTSDALDH1A1MEN1KMT2APSMB8

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-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 CTSD 1429/4885TRPM8 2730/4885ALDH1A1 4062/4885

“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.