SCHEMBL26460969

SCHEMBL26460969

CC(S)OC(=O)Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.73
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PAM P19021 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
KLK7 P49862 4/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
AKR1B1 P15121 1/20 0.47
CYP19A1 P11511 1/20 0.46
FAAH O00519 1/20 0.45
KMT2A Q03164 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43

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
SCHEMBL873430 0.85 TSHR (1.00) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL28134676 0.83 TSHR (0.76) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL27120274 0.83 TSHR (0.76) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL27883126 0.83 TSHR (0.96) TSHRALDH1A1MAPK1L3MBTL1PAM
Hydrochloric Acid SCHEMBL27332250 0.83 TSHR (0.96) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL5761203 0.81 TSHR (0.73) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL5599202 0.81 TSHR (0.73) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL12412855 0.81 TSHR (0.73) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL12412853 0.81 TSHR (0.73) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL27484257 0.81 TSHR (0.93) TSHRALDH1A1MAPK1L3MBTL1PAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230137816-A1 ADMINISTRATION OF CALCIUM CHANNEL TRPC6 INHIBITORS USING BALLOONS, STENTS OR OTHER MEDICAL DEVICES DEUTSCHES HERZZENTRUM MUENCHEN DES FREISTAATES BAYERN (DE) 2023-05-04 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 (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-20230137816-A1 ADMINISTRATION OF CALCIUM CHANNEL TRPC6 INHIBITORS USING BALLOONS, STENTS OR OTHER MEDICAL DEVICES TRPC6, TRPC1, ORAI1 TSHR 3703/4885ALDH1A1 4066/4885MAPK1 648/4885

“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.