SCHEMBL414509

SCHEMBL414509

CCc1cc(S)c(F)c(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
ALDH1A1 P00352 2/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
HMGB1 P09429 1/20 0.36
CXCL12 P48061 1/20 0.36
MAPT P10636 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
KLKB1 P03952 1/20 0.34
CTSB P07858 1/20 0.34
MMP9 P14780 1/20 0.34
DNMT1 P26358 1/20 0.34
DNMT3B Q9UBC3 1/20 0.34
DNMT3L Q9UJW3 1/20 0.34
DNMT3A Q9Y6K1 1/20 0.34
KAT8 Q9H7Z6 2/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 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
SCHEMBL11768090 0.76 KDM4E (0.46) MAPTHDAC8KDM4ENOTUM
SCHEMBL23699546 0.75 RXRA (0.36) METAP2RXRARXRBALDH1A1PTGS1
SCHEMBL29264887 0.74 GABRP (0.43) METAP2RXRARXRBALDH1A1HMGB1
SCHEMBL10947807 0.72 HMGB1 (0.47) METAP2RXRARXRBALDH1A1PTGS1
SCHEMBL28090896 0.72 HMGB1 (0.57) METAP2RXRARXRBALDH1A1HMGB1
SCHEMBL30718945 0.71 ALDH1A1 (0.37) METAP2RXRARXRBALDH1A1HMGB1
SCHEMBL27843665 0.71 KDM4E (0.48) METAP2RXRARXRBALDH1A1HMGB1
SCHEMBL11888130 0.70 METAP2 (0.51) METAP2ALDH1A1KLKB1CTSBMMP9
SCHEMBL4852417 0.69 RXRA (0.43) METAP2RXRARXRBALDH1A1HMGB1
SCHEMBL2667989 0.69 MCL1 (0.42) METAP2HMGB1CXCL12MAPTKAT8

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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 METAP2 3204/4885RXRA 2199/4885RXRB 2151/4885

“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.