SCHEMBL15099575

SCHEMBL15099575

Cc1cc2ccccc2c(-c2ccc3c4c(ccnc24)CCO3)c1[C@H](OC(C)(C)CCF)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.67
▸ MAPK14 Q16539 8/20 0.32
▸ NR1I2 O75469 1/20 0.31
▸ SSTR4 P31391 1/20 0.30

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
SCHEMBL15099752 1.00 CYP3A4 (0.67) CYP3A4MAPK14NR1I2SSTR4
SCHEMBL15099695 0.95 CYP3A4 (0.68) CYP3A4MAPK14NR1I2
SCHEMBL15099600 0.95 CYP3A4 (0.68) CYP3A4MAPK14NR1I2
SCHEMBL15099668 0.95 CYP3A4 (0.68) CYP3A4MAPK14NR1I2
SCHEMBL15093695 0.94 CYP3A4 (0.67) CYP3A4MAPK14SSTR4
SCHEMBL15093696 0.94 CYP3A4 (0.67) CYP3A4MAPK14SSTR4
SCHEMBL15093380 0.94 CYP3A4 (0.67) CYP3A4MAPK14SSTR4
SCHEMBL15093277 0.93 CYP3A4 (0.65) CYP3A4MAPK14
SCHEMBL15093286 0.93 CYP3A4 (0.65) CYP3A4MAPK14
SCHEMBL15093278 0.93 CYP3A4 (0.65) CYP3A4MAPK14

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-9284323-B2 Naphthalene acetic acid derivatives against HIV infection GILEAD SCIENCES, INC. (US) 2016-03-15 — — US disclosed
US-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2015-04-23 — — US disclosed
US-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2015-04-23 — — US disclosed
WO-2013103738-A1 NAPTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2013-07-11 — — 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 (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-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION NFATC1, ACIN1, NAAA CYP3A4 1722/4885MAPK14 2034/4885NR1I2 1125/4885

“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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