SCHEMBL78627

SCHEMBL78627

CC(C)(C)c1c(F)ccc(F)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.34
RIPK1 Q13546 1/20 0.34
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
HTR2B P41595 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 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
SCHEMBL23138933 0.86 NOTUM (0.33) AKR1C3AKR1C2HTT
SCHEMBL12286582 0.86 NOTUM (0.38) TNFRIPK1HTT
SCHEMBL78563 0.84 TNF (0.31) TNFRIPK1
SCHEMBL803641 0.84 CYP3A4 (0.31)
SCHEMBL24945815 0.82 DAO (0.35) TNFRIPK1MEN1KMT2AHTT
SCHEMBL22570314 0.79 HTR2A (0.42) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL24252047 0.78 HTR2A (0.31) TNFRIPK1HTR2AHTR2CHTR2B
SCHEMBL8220621 0.77 POLB (0.31)
SCHEMBL10256478 0.76 HTT (0.32) HTR2AHTR2BHTT
SCHEMBL19813279 0.76 TSHR (0.40) AKR1C3AKR1C2

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
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
US-20220048915-A1 Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2022-02-17 US disclosed
US-20210087147-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NodThera Limited (GB) 2021-03-25 US disclosed
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 US disclosed
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 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 (5 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 TNF 1859/4885RIPK1 834/4885AKR1C3 647/4885
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, MAPKAPK2, MAP3K20 TNF 839/4885RIPK1 32/4885AKR1C3 4423/4885
US-20220048915-A1 Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof MAPK11, WEE1, NOS1 TNF 1461/4885RIPK1 1677/4885AKR1C3 1539/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH TNF 1324/4885RIPK1 1973/4885AKR1C3 2556/4885
US-20210087147-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, NOD1, NLRP1 TNF 62/4885RIPK1 80/4885AKR1C3 880/4885

“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.