SCHEMBL5019084

SCHEMBL5019084

COC(=O)[C@@H]1C[C@@H](OS(=O)(=O)c2ccc(C)cc2)CN1C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.50
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 4/20 0.49
MMP2 P08253 6/20 0.47
ANPEP P15144 2/20 0.47
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 3/20 0.41
MEN1 O00255 2/20 0.41
CYP19A1 P11511 1/20 0.41
LMNA P02545 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL13708370 0.85 ALDH1A1 (0.59) CYP2D6ALDH1A1KMT2AMMP2ANPEP
SCHEMBL8299354 0.85 ALDH1A1 (0.59) CYP2D6ALDH1A1KMT2AMMP2ANPEP
SCHEMBL4322573 0.85 ALDH1A1 (0.47) CYP2D6ALDH1A1KMT2AMMP2ANPEP
SCHEMBL4328109 0.85 ALDH1A1 (0.47) CYP2D6ALDH1A1KMT2AMMP2ANPEP
SCHEMBL4322569 0.85 ALDH1A1 (0.47) CYP2D6ALDH1A1KMT2AMMP2ANPEP
SCHEMBL14770231 0.82 ELANE (0.50) CYP2D6ALDH1A1KMT2AMEN1LMNA
SCHEMBL25097911 0.81 NR1H2 (0.47) CYP2D6ALDH1A1KMT2AMMP2ANPEP
SCHEMBL4320166 0.81 NR1H2 (0.47) CYP2D6ALDH1A1KMT2AMMP2ANPEP
SCHEMBL20494301 0.81 CYP3A4 (0.45) CYP2D6ALDH1A1KMT2AMMP2ANPEP
SCHEMBL20494302 0.81 CYP3A4 (0.45) CYP2D6ALDH1A1KMT2AMMP2ANPEP

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-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

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 CYP2D6 2747/4885ALDH1A1 4062/4885KMT2A 3928/4885

“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.