SCHEMBL20549337

SCHEMBL20549337

Cc1cc(CCl)ccc1I

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
S1PR1 P21453 1/20 0.35
TTR P02766 2/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
TSHR P16473 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
SKP2 Q13309 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL30831846 1.00 ESR1 (0.35) ESR1ESR2S1PR1TTRKDM4E
SCHEMBL7379965 0.82 S1PR1 (0.45) ESR1ESR2S1PR1TTRKDM4E
SCHEMBL19154351 0.81 ESR1 (0.54) ESR1ESR2S1PR1KDM4ECYP3A4
SCHEMBL21346932 0.81 PTGS1 (0.41) ESR1ESR2S1PR1PTGS1PTGS2
SCHEMBL8065786 0.79 TRPA1 (0.43) ESR1ESR2S1PR1KDM4EPTGS1
SCHEMBL29377856 0.78 ALDH1A1 (0.40) ESR1ESR2TTRKDM4ECYP3A4
SCHEMBL540384 0.78 ALDH1A1 (0.40) ESR1ESR2TTRKDM4ECYP3A4
SCHEMBL24219430 0.77 HRH3 (0.39) ESR1ESR2SKP2
SCHEMBL171208 0.77 ESR1 (0.40) ESR1ESR2S1PR1TSHRPTGS1
SCHEMBL26586432 0.77 ESR1 (0.35) ESR1ESR2S1PR1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110536885-B Process for producing difluoromethylene compound 佐藤制药株式会社 2024-03-08 CN disclosed
EP-3368524-B1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-08-18 EP disclosed
US-11084792-B2 Method for producing difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2021-08-10 US disclosed
US-20200190038-A1 METHOD FOR PRODUCING DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2020-06-18 US disclosed
US-10640486-B2 Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-05-05 US disclosed
EP-3617197-A1 METHOD FOR PRODUCING DIFLUOROMETHYLENE COMPOUND Sato Pharmaceutical Co., Ltd. (JP) 2020-03-04 EP disclosed
US-20180319771-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-08 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 (4 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-20200190038-A1 METHOD FOR PRODUCING DIFLUOROMETHYLENE COMPOUND HACL2, MGLL, ABL1 ESR1 4213/4885ESR2 4414/4885S1PR1 2630/4885
US-10640486-B2 Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 ESR1 3007/4885ESR2 2542/4885S1PR1 462/4885
US-11084792-B2 Method for producing difluoromethylene compound HACL2, MGLL, ABL1 ESR1 4213/4885ESR2 4414/4885S1PR1 2630/4885
US-20180319771-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 ESR1 3007/4885ESR2 2542/4885S1PR1 462/4885

“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.