SCHEMBL9988008

SCHEMBL9988008

CCCCCCSc1ccc(C(=O)c2ccc(NC(c3ccc(Cl)cc3)C3CC3)cc2)cc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LTC4S Q16873 5/20 0.37
▸ PLK1 P53350 4/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ THRB P10828 3/20 0.35
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33

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
SCHEMBL9989319 0.90 LTC4S (0.46) LTC4S
SCHEMBL9988004 0.81 BCL2L1 (0.43) LTC4SCYP1A2CYP3A4CYP2C19AKR1C3
SCHEMBL9988053 0.77 LTC4S (0.55) LTC4STHRB
SCHEMBL9988068 0.73 LTC4S (0.44) LTC4S
SCHEMBL9988833 0.73 LTC4S (0.49) LTC4S
SCHEMBL2755492 0.73 LTC4S (0.70) LTC4S
SCHEMBL1721644 0.72 MDM2 (0.42) TSHR
SCHEMBL9988442 0.72 LTC4S (0.45) LTC4S
SCHEMBL9988113 0.71 LTC4S (0.44) LTC4S
SCHEMBL9988164 0.70 LTC4S (0.45) LTC4S

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-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 (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-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R LTC4S 1/4885PLK1 3084/4885CYP1A2 90/4885

“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.

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