SCHEMBL10148185

SCHEMBL10148185

COC1=CC2C(CC(=O)NCCCN3CCN(CCCNC(=O)c4ccc(C=O)c(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c4)CC3)=C(C)N(COc3ccc(Cl)cc3)C2C=C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTRA2 O43464 5/20 0.35
▸ HTRA1 Q92743 5/20 0.35
▸ ALB P02768 2/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ SLC5A2 P31639 1/20 0.33
▸ AVPR2 P30518 1/20 0.33
▸ OXTR P30559 1/20 0.33
▸ AVPR1A P37288 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
SCHEMBL878334 0.86 ESR1 (0.34) ALBESR1SLC5A2
SCHEMBL878698 0.85 ALB (0.47) HTRA2HTRA1ALBESR1SLC5A2
SCHEMBL878550 0.84 CA12 (0.45) —
SCHEMBL878167 0.80 HDAC3 (0.32) —
SCHEMBL10147612 0.80 CA1 (0.55) —
SCHEMBL878574 0.79 CA1 (0.53) —
SCHEMBL878470 0.75 PTGS2 (0.55) —
SCHEMBL10147620 0.73 P2RY6 (0.41) SLC5A2
SCHEMBL861487 0.73 PTGS2 (0.51) —
SCHEMBL14728180 0.69 PTGS2 (0.48) HTRA2HTRA1ALB

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-8143302-B2 Methods and compositions for diagnostic and therapeutic targeting of COX-2 VANDERBILT UNIVERSITY (US) 2012-03-27 — — US disclosed
US-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2010-10-07 — — 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-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 PTGS2, PTGES2, PTGER2 HTRA2 65/4885HTRA1 687/4885ALB 1282/4885

“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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