SCHEMBL18554429

SCHEMBL18554429

O=C(Nc1cccc(OC(F)(F)F)c1F)[C@@H]1CCN1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.43
▸ CFD P00746 16/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HTR2C P28335 1/20 0.42
▸ CXCR2 P25025 2/20 0.41

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
SCHEMBL18554430 1.00 EPHX2 (0.43) EPHX2CFDCYP2C9HTR2CCXCR2
Hydrochloric Acid SCHEMBL20378176 0.99 EPHX2 (0.43) EPHX2CFDCYP2C9HTR2CCXCR2
Hydrochloric Acid SCHEMBL20378179 0.99 EPHX2 (0.43) EPHX2CFDCYP2C9HTR2CCXCR2
Hydrochloric Acid SCHEMBL28859842 0.93 HTR2C (0.49) EPHX2CFDCYP2C9HTR2CCXCR2
SCHEMBL29840673 0.83 CFD (0.47) CFDCYP2C9
SCHEMBL18591255 0.83 CFD (0.47) CFDCYP2C9
Hydrochloric Acid SCHEMBL18555534 0.82 CFD (0.46) CFDCYP2C9
Hydrochloric Acid SCHEMBL29546173 0.82 CFD (0.46) CFDCYP2C9
SCHEMBL19234185 0.81 CFD (0.45) CFDCYP2C9
SCHEMBL29840887 0.81 CFD (0.45) CFDCYP2C9

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
EP-3340982-B1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2021-12-15 — — EP disclosed
US-10807952-B2 Compounds for treatment of immune inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-10-20 — — US disclosed
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-19 — — US disclosed
EP-3340982-A1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS Achillion Pharmaceuticals, Inc. (US) 2018-07-04 — — EP disclosed
WO-2017035408-A1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 — — 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 (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-10807952-B2 Compounds for treatment of immune inflammatory disorders CFD, TFPI, CFH EPHX2 1449/4885CFD 1/4885CYP2C9 2862/4885
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS CFD, TFPI, CFH EPHX2 1449/4885CFD 1/4885CYP2C9 2862/4885

“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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