SCHEMBL12270441

SCHEMBL12270441

Cc1ccc(B(O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV6 Q9H1D0 4/20 0.79
▸ ORAI1 Q96D31 3/20 0.79
▸ ORAI2 Q96SN7 3/20 0.79
▸ ORAI3 Q9BRQ5 3/20 0.79
▸ MGLL Q99685 2/20 0.59
▸ CA2 P00918 3/20 0.48
▸ LPL P06858 1/20 0.48
▸ LIPG Q9Y5X9 1/20 0.48
▸ CYP1A1 P04798 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ MLYCD O95822 1/20 0.39
▸ KIF11 P52732 2/20 0.39
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ CA1 P00915 2/20 0.38
▸ CA5A P35218 1/20 0.38

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
SCHEMBL2406706 0.89 TRPV6 (1.00) TRPV6ORAI1ORAI2ORAI3MGLL
SCHEMBL12271199 0.84 TRPV6 (0.59) TRPV6ORAI1ORAI2ORAI3MGLL
SCHEMBL12270825 0.82 MAOB (0.57) TRPV6ORAI1ORAI2ORAI3ALDH1A1
SCHEMBL2964428 0.82 TRPV6 (1.00) TRPV6ORAI1ORAI2ORAI3CA2
SCHEMBL17816159 0.82 TSHR (0.55) TRPV6ORAI1ORAI2ORAI3MGLL
SCHEMBL91414 0.82 TSHR (0.55) TRPV6ORAI1ORAI2ORAI3MGLL
SCHEMBL3275158 0.81 TRPV6 (1.00) TRPV6ORAI1ORAI2ORAI3MGLL
Bromide SCHEMBL27849066 0.79 TSHR (0.52) TRPV6ORAI1ORAI2ORAI3MGLL
Ammonia Solution, Strong SCHEMBL28559843 0.79 TSHR (0.52) TRPV6ORAI1ORAI2ORAI3MGLL
SCHEMBL2406670 0.78 TRPV6 (0.76) TRPV6ORAI1ORAI2ORAI3MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 — — US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 — — 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 TRPV6 4868/4885ORAI1 4605/4885ORAI2 3906/4885

“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.

Send feedback