SCHEMBL15093751

SCHEMBL15093751

Cc1cc2cc(Br)ccc2c(OS(=O)(=O)C(F)(F)F)c1C(O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.32
HSD11B1 P28845 2/20 0.31
CXCR2 P25025 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CXCR1 P25024 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
SCHEMBL15093724 0.89 SMN1; SMN2 (0.36) SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL16657257 0.89 SMN1; SMN2 (0.36) SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL15099758 0.89 SMN1; SMN2 (0.36) SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL15093485 0.89 CXCR2 (0.32) HSD11B1CXCR2ALDH1A1CXCR1
SCHEMBL15093492 0.85 PSIP1 (0.34) HSD11B1CXCR2SMN1; SMN2LMNAL3MBTL1
SCHEMBL1699514 0.85 TUBB4A (0.34) HSD11B1CXCR2LMNAALDH1A1CXCR1
SCHEMBL1699353 0.81 SMN1; SMN2 (0.39) HSD11B1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL1699559 0.81 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1
SCHEMBL15093279 0.80 SMN1; SMN2 (0.34) SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL15099650 0.80 SMN1; SMN2 (0.34) SMN1; SMN2LMNAL3MBTL1ALDH1A1

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 3 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
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 NCEH1 154/4885HSD11B1 572/4885CXCR2 757/4885

“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.