SCHEMBL1503298

SCHEMBL1503298

COC(=O)NC(Cc1ccc(Cl)cc1)C(=O)N(Cc1ccc(F)cc1)Cc1cnc(C(=O)NO)c(O)c1CO

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.38
AVPR1A P37288 2/20 0.36
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
PTPRB P23467 1/20 0.33
MME P08473 2/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32

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
SCHEMBL1503246 0.81 EGFR (0.36) EGFRERBB2
SCHEMBL2216328 0.79 EGFR (0.41) EGFRERBB2
SCHEMBL2146957 0.71 HDAC6 (0.37)
SCHEMBL1503203 0.70 L3MBTL1 (0.40)
SCHEMBL1503241 0.70 HDAC1 (0.39)
SCHEMBL1503256 0.68 USP2 (0.39)
SCHEMBL1503183 0.68 NAMPT (0.39) EGFRERBB2
SCHEMBL12516709 0.68 HDAC1 (0.43) AVPR1A
SCHEMBL1503250 0.68 MMP1 (0.39)
SCHEMBL30954811 0.68 MMP1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US claimed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US claimed
EP-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 EP claimed
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 WO claimed
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US disclosed
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US disclosed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US disclosed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US 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-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE PNPO, CCNB1, BLVRB NOS2 2283/4885AVPR1A 1094/4885ROCK2 3128/4885

“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.