SCHEMBL7937243

SCHEMBL7937243

O=S(=O)(c1ccc(F)cc1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PTPRZ1 P23471 1/20 0.50
KIF11 P52732 2/20 0.48
EPAS1 Q99814 2/20 0.47
MMP2 P08253 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
HSD11B1 P28845 1/20 0.44
SOS1 Q07889 1/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42

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
SCHEMBL9457440 0.81 HSD11B1 (0.46) ALDH1A1MMP2CA1CA2MMP1
SCHEMBL571463 0.81 MMP2 (0.43) ALDH1A1MAPK1MMP2CA1CA2
SCHEMBL14194257 0.80 MMP2 (0.46) ALDH1A1MAPK1MMP2CA1CA2
SCHEMBL517720 0.80 ALDH1A1 (0.52) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL10146079 0.79 ALDH1A1 (0.47) ALDH1A1MAPK1SMN1; SMN2MMP2CA1
SCHEMBL9489943 0.79 CA1 (0.42) ALDH1A1MAPK1MMP2CA1CA2
SCHEMBL1156438 0.78 LMNA (0.50) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL7940614 0.78 MMP2 (0.45) ALDH1A1HTTMMP2CA1CA2
SCHEMBL1098294 0.78 LMNA (0.50) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL1098295 0.78 GAA (0.54) ALDH1A1LMNAMAPK1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-06-16 US disclosed
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 CN disclosed
EP-3452461-B1 PIPERIDINES AS MENIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2021-09-08 EP disclosed
US-20210198237-A1 PIPERIDINES AS MENIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2021-07-01 US disclosed
US-20190152947-A1 PIPERIDINES AS MENIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-05-23 US disclosed
WO-2017192543-A1 PIPERIDINES AS MENIN INHIBITORS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-11-09 WO disclosed
EP-3043784-A1 ARYL ETHERS AND USES THEREOF Peloton Therapeutics, Inc. (US) 2016-07-20 EP disclosed
WO-2015035223-A1 ARYL ETHERS AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2015-03-12 WO disclosed
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 EP disclosed
EP-0365763-A1 Antiproliferative cyclic compounds AGOURON PHARMACEUTICALS, INC. (US) 1990-05-02 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 (3 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-20210198237-A1 PIPERIDINES AS MENIN INHIBITORS MEN1, WFS1, BRCA1 ALDH1A1 1686/4885LMNA 579/4885MAPK1 3185/4885
US-20190152947-A1 PIPERIDINES AS MENIN INHIBITORS MEN1, GDI2, GNAQ ALDH1A1 1653/4885LMNA 577/4885MAPK1 2805/4885
US-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE PTDSS1, PTDSS2, SMPD1 ALDH1A1 2761/4885LMNA 4163/4885MAPK1 1338/4885

“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.