SCHEMBL5018537

SCHEMBL5018537

Cc1cc(NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](N)CC(=O)N(CCN)CCN)ccc1Oc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.43
ROCK1 Q13464 4/20 0.39
AAK1 Q2M2I8 1/20 0.38
ROCK2 O75116 5/20 0.37
GPR132 Q9UNW8 2/20 0.37
P2RX4 Q99571 1/20 0.37
MMP12 P39900 2/20 0.36
HDAC4 P56524 1/20 0.35
MEF2D Q14814 1/20 0.35
SCD O00767 1/20 0.35

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
SCHEMBL5018409 0.89 S1PR1 (0.51) S1PR1ROCK1GPR132
SCHEMBL5018432 0.86 POLB (0.38) S1PR1GPR132MMP12HDAC4MEF2D
SCHEMBL5018357 0.85 SMN1; SMN2 (0.39) S1PR1ROCK1ROCK2MMP12
SCHEMBL5018131 0.82 ROCK1 (0.58) ROCK1ROCK2
SCHEMBL13991940 0.81 CALCRL (0.43) MMP12
SCHEMBL5018553 0.81 LMNA (0.41) MMP12
SCHEMBL5018434 0.80 GPR132 (0.37) S1PR1GPR132
SCHEMBL5018355 0.80 METAP2 (0.40) ROCK1ROCK2MMP12
SCHEMBL5018151 0.79 LMNA (0.47) ROCK1ROCK2
SCHEMBL5018149 0.79 PLAU (0.48) MMP12

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 S1PR1 3764/4885ROCK1 3292/4885AAK1 3953/4885

“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.