SCHEMBL233511

SCHEMBL233511

COc1ccc(Sc2cc(C(=O)O)cc(C(=O)c3ccc(N(C)c4ccc(Cl)cc4)cc3)c2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
TPMT P51580 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
LTC4S Q16873 4/20 0.42
TTR P02766 1/20 0.41
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL2743210 0.92 LTC4S (0.41) LMNAMRGPRX4LTC4STTRPOLB
SCHEMBL3039441 0.91 ALDH1A1 (0.46) LMNACA12CA1CA2CA4
SCHEMBL232053 0.84 LTC4S (0.47) LMNALTC4SPOLBMAPTALDH1A1
SCHEMBL231095 0.84 LTC4S (0.42) LMNALTC4STSHRMAPTSRD5A2
SCHEMBL2743209 0.83 LMNA (0.46) LMNALTC4STSHRMAPTALDH1A1
SCHEMBL233590 0.83 SRD5A2 (0.42) LMNALTC4SPOLBMAPTSRD5A2
SCHEMBL2743191 0.81 MEN1 (0.44) LMNAMRGPRX4CA12CA1CA2
SCHEMBL232051 0.80 USP2 (0.53) LMNAPOLBMAPTTP53ALDH1A1
SCHEMBL232237 0.78 SRD5A2 (0.56) LMNALTC4SPOLBTSHRMAPT
SCHEMBL232069 0.77 LTC4S (0.53) LMNALTC4SCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US disclosed
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US disclosed
US-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2011-12-29 US disclosed
US-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2011-12-29 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 (2 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-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R LMNA 672/4885MRGPRX4 447/4885CA12 4778/4885
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R LMNA 1141/4885MRGPRX4 372/4885CA12 4703/4885

“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.