SCHEMBL4526778

SCHEMBL4526778

CCOC(=O)C(C)(F)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.51
POLB P06746 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MMP8 P22894 1/20 0.49
MAPT P10636 4/20 0.48
THRB P10828 2/20 0.48
ALDH1A1 P00352 2/20 0.46
CHRM2 P08172 2/20 0.45
CHRM4 P08173 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
RECQL P46063 1/20 0.45
CHRM5 P08912 1/20 0.45
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL2393258 0.86 PIN1 (0.51) PIN1POLBNPSR1MMP8MAPT
SCHEMBL19183403 0.84 MAPT (0.49) NPSR1MAPTTSHRKMT2ALMNA
SCHEMBL5010275 0.84 PIN1 (0.53) PIN1POLBNPSR1MMP8MAPT
SCHEMBL1172441 0.84 PIN1 (0.53) PIN1POLBNPSR1MMP8MAPT
SCHEMBL31619474 0.83 TSHR (0.58) NPSR1MAPTALDH1A1TSHRKMT2A
SCHEMBL27502753 0.83 POLB (0.52) PIN1POLBNPSR1MMP8MAPT
SCHEMBL31619451 0.83 CES2 (0.47) POLBNPSR1MMP8MAPTTHRB
SCHEMBL5816392 0.82 POLB (0.55) PIN1POLBNPSR1MMP8MAPT
SCHEMBL29156932 0.81 CHRM2 (0.64) PIN1POLBNPSR1MMP8ALDH1A1
SCHEMBL2910521 0.81 PIN1 (0.54) PIN1POLBNPSR1MMP8MAPT

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
WO-2018115380-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-28 WO disclosed
US-20090291973-A1 Novel Quinazoline Derivatives and Their Medical Use NEUROSEARCH A/S (DK) 2009-11-26 US disclosed
US-20090291973-A1 Novel Quinazoline Derivatives and Their Medical Use NEUROSEARCH A/S (DK) 2009-11-26 US disclosed
US-20090291973-A1 Novel Quinazoline Derivatives and Their Medical Use NEUROSEARCH A/S (DK) 2009-11-26 US disclosed
EP-1951685-A1 NOVEL QUINAZOLINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2008-08-06 EP disclosed
WO-2007057447-A1 NOVEL QUINAZOLINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-05-24 WO disclosed
US-5003074-A N-fluorinated sulfonamides CIBA-GEIGY CORPORATION (US) 1991-03-26 US disclosed
EP-0311086-A1 N-fluorinated sulfon amides, process for their preparation and their use CIBA-GEIGY AG (CH) 1989-04-12 EP 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-20090291973-A1 Novel Quinazoline Derivatives and Their Medical Use KCNA7, KCNN3, KCNQ5 PIN1 2549/4885POLB 4391/4885NPSR1 819/4885

“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.