SCHEMBL1699441

SCHEMBL1699441

CCOC(=O)C(=O)c1c(C)cc2cc(OS(=O)(=O)C(F)(F)F)ccc2c1-c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.37
CSF1R P07333 1/20 0.37
XBP1 P17861 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 3/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
PMP22 Q01453 1/20 0.34
PPARA Q07869 1/20 0.34
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL1701370 0.83 CSF1R (0.41) CSF1RXBP1SMN1; SMN2MAPTCYP1A2
SCHEMBL10272102 0.82 PTGDR2 (0.37) PTGDR2XBP1SMN1; SMN2POLBKMT2A
SCHEMBL15165287 0.82 CSF1R (0.40) CSF1RXBP1SMN1; SMN2MAPTCYP1A2
SCHEMBL1699614 0.80 LMNA (0.36) CSF1RXBP1POLBKMT2AMEN1
SCHEMBL10271593 0.79 CYP3A4 (0.38) PTGDR2XBP1SMN1; SMN2POLBKMT2A
SCHEMBL18860757 0.79 PTGDR2 (0.37) PTGDR2XBP1SMN1; SMN2POLBKMT2A
SCHEMBL18860758 0.79 PTGDR2 (0.37) PTGDR2XBP1SMN1; SMN2POLBKMT2A
SCHEMBL1699571 0.78 PTGDR2 (0.37) PTGDR2CYP3A4ADORA1DHODHHSD11B1
SCHEMBL10272118 0.77 PTGDR2 (0.36) PTGDR2CSF1RXBP1SMN1; SMN2KMT2A
SCHEMBL1699534 0.77 CSF1R (0.47) PTGDR2CSF1RXBP1SMN1; SMN2CYP1A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588450-B1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES INC (US) 2017-05-24 EP disclosed
EP-2588450-B1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES INC (US) 2017-05-24 EP disclosed
US-9102614-B2 Naphth-2-ylacetic acid derivatives to treat AIDS GILEAD SCIENCES, INC. (US) 2015-08-11 US disclosed
US-9102614-B2 Naphth-2-ylacetic acid derivatives to treat AIDS GILEAD SCIENCES, INC. (US) 2015-08-11 US disclosed
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
EP-2588450-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
WO-2012003497-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed
WO-2012003497-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2012-01-05 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-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS NFATC1, AADAT, ACAT1 PTGDR2 3910/4885CSF1R 742/4885XBP1 3642/4885

“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.