SCHEMBL19972351

SCHEMBL19972351

CS(=O)(=O)c1ccc(C2CC(=O)NCC2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 7/20 0.54
FPR2 P25090 5/20 0.54
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A4 P31645 1/20 0.36
MCL1 Q07820 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 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
SCHEMBL19985883 0.81 MCL1 (0.43) FPR1FPR2ALDH1A1MCL1
SCHEMBL19972233 0.81 MCL1 (0.43) FPR1FPR2ALDH1A1MCL1
SCHEMBL4428159 0.80 FPR1 (0.40) FPR1FPR2GAAALDH1A1PTGS2
SCHEMBL4428165 0.80 FPR1 (0.40) FPR1FPR2GAAALDH1A1PTGS2
SCHEMBL6691503 0.80 FPR1 (0.40) FPR1FPR2GAAALDH1A1PTGS2
SCHEMBL4428167 0.80 FPR1 (0.40) FPR1FPR2GAAALDH1A1PTGS2
SCHEMBL19985882 0.80 FPR1 (0.53) FPR1FPR2ALDH1A1
SCHEMBL19972399 0.80 FPR1 (0.53) FPR1FPR2ALDH1A1
SCHEMBL19972326 0.80 FPR1 (0.53) FPR1FPR2TSHRKMT2A
SCHEMBL19972414 0.80 FPR1 (0.53) FPR1FPR2MEN1KMT2ASLC6A4

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
EP-3515902-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2019-07-31 EP disclosed
CN-109715614-A The 6 yuan of cyclammonium or lactams replaced with urea and phenyl 格吕伦塔尔有限公司 2019-05-03 CN disclosed
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl Grünenthal GmbH (DE) 2019-04-23 US disclosed
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl Grünenthal GmbH (DE) 2019-04-23 US disclosed
WO-2018054549-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-29 WO disclosed
US-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-22 US disclosed
US-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-22 US disclosed
US-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-22 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 (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-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL FPR2, FPR1, FPR3 FPR1 2/4885FPR2 1/4885GAA 3320/4885
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl FPR2, FPR1, FPR3 FPR1 2/4885FPR2 1/4885GAA 3320/4885

“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.