SCHEMBL15570274

SCHEMBL15570274

COc1cc(/C=C(\C)C(=O)O)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 5/20 0.52
BACE1 P56817 2/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.48
AKR1C3 P42330 2/20 0.47
TUBB4A P04350 2/20 0.45
TUBB P07437 2/20 0.45
TUBA3C P0DPH7 2/20 0.45
TUBA1B P68363 2/20 0.45
TUBA4A P68366 2/20 0.45
TUBB4B P68371 2/20 0.45
TUBB3 Q13509 2/20 0.45
TUBB2A Q13885 2/20 0.45
TUBB8 Q3ZCM7 2/20 0.45
TUBA3E Q6PEY2 2/20 0.45
TUBA1A Q71U36 2/20 0.45
TUBA1C Q9BQE3 2/20 0.45
TUBB6 Q9BUF5 2/20 0.45
TUBB2B Q9BVA1 2/20 0.45

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
SCHEMBL15570275 1.00 TUBB1 (0.52) TUBB1BACE1GAATDP1MAPT
SCHEMBL6933180 0.88 TUBB1 (0.67) TUBB1GAATDP1MAPTAKR1C3
SCHEMBL6933178 0.88 TUBB1 (0.67) TUBB1GAATDP1MAPTAKR1C3
SCHEMBL16858596 0.86 BACE1 (0.52) TUBB1BACE1GAATDP1MAPT
SCHEMBL16858595 0.86 BACE1 (0.52) TUBB1BACE1GAATDP1MAPT
SCHEMBL20500034 0.85 GAA (0.68) TUBB1GAATDP1MAPTAKR1C3
SCHEMBL10497247 0.85 GAA (0.68) TUBB1GAATDP1MAPTAKR1C3
SCHEMBL10497242 0.85 GAA (0.68) TUBB1GAATDP1MAPTAKR1C3
SCHEMBL2085722 0.83 MAPT (0.69) BACE1GAATDP1MAPTKDM4E
SCHEMBL28944476 0.83 GAA (0.51) TUBB1GAATDP1MAPTAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 US disclosed
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 US disclosed
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 US disclosed
EP-2885286-B1 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2017-03-22 EP disclosed
EP-2885286-B1 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2017-03-22 EP disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 US disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 US disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 US disclosed
WO-2015102929-A1 TRICYCLIC SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2015-07-09 WO disclosed
US-20150183802-A1 TRICYCLIC SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2015-07-02 US disclosed
EP-2885286-A1 2,3-BENZODIAZEPINES Bayer Pharma Aktiengesellschaft (DE) 2015-06-24 EP disclosed
WO-2014026997-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-20 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 (2 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-20150183802-A1 TRICYCLIC SULFONAMIDE DERIVATIVES SULT2A1, SULT1A1, STS TUBB1 762/4885BACE1 3676/4885GAA 1907/4885
US-20150203483-A1 2,3-BENZODIAZEPINES BRD4, BET1, BRDT TUBB1 242/4885BACE1 496/4885GAA 4564/4885

“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.