SCHEMBL2408985

SCHEMBL2408985

C=CCNC(=O)C(F)(F)Br

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.39
HPGD P15428 6/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 2/20 0.37
LMNA P02545 1/20 0.37
FAAH O00519 1/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL236402 0.82 ALDH1A1 (0.50) SMN1; SMN2TSHRMAPTKMT2ARAB9A
SCHEMBL12319214 0.78 SMN1; SMN2 (0.43) SMN1; SMN2TSHRMAPTKMT2ARAB9A
SCHEMBL28659651 0.77 SMN1; SMN2 (0.42) SMN1; SMN2TSHRMAPTKMT2ARAB9A
SCHEMBL29067006 0.75 TSHR (0.41) SMN1; SMN2TSHRMAPTKMT2ARAB9A
SCHEMBL2818904 0.73 TSHR (0.46) SMN1; SMN2TSHRMAPTKMT2ARAB9A
SCHEMBL10818200 0.73 TSHR (0.46) SMN1; SMN2TSHRMAPTKMT2ARAB9A
SCHEMBL9306141 0.72 CA1 (0.42) SMN1; SMN2TSHRMAPTKMT2AALDH1A1
SCHEMBL22039933 0.72 KMT2A (0.40) SMN1; SMN2TSHRMAPTKMT2ARAB9A
SCHEMBL6663599 0.72 CA1 (0.42) SMN1; SMN2TSHRMAPTKMT2AALDH1A1
SCHEMBL15272019 0.70 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AHPGDALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117384144-A Method for preparing coumarin derivative by photocatalysis three components and application thereof 浙江工业大学 2024-01-12 CN disclosed
CN-116621756-A Preparation method of 3, 3-difluoro-gamma-lactam compound 遵义医科大学 2023-08-22 CN disclosed
EP-2114917-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2016-08-10 EP disclosed
EP-2114917-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2016-08-10 EP disclosed
US-8933105-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-13 US disclosed
US-8933105-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-13 US disclosed
US-8933105-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-13 US disclosed
EP-2364979-A1 Pyrrole compounds Takeda Pharmaceutical Company Limited (JP) 2011-09-14 EP disclosed
EP-2114917-A2 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-11-11 EP disclosed
US-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 US disclosed
US-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 US disclosed
US-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 US disclosed
WO-2008108380-A2 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-12 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-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker REN, HRH2, ATP4A SMN1; SMN2 3936/4885TSHR 155/4885MAPT 4532/4885

“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.