SCHEMBL21377045

SCHEMBL21377045

CC(S)c1ccc(C(C)(F)F)nc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.38
NR1I2 O75469 1/20 0.33
CYP2C9 P11712 1/20 0.33
MLYCD O95822 2/20 0.32
PDE2A O00408 1/20 0.31

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
SCHEMBL19615785 0.87 TRPV4 (0.53) TRPV4NR1I2CYP2C9PDE2A
SCHEMBL21789264 0.85 IDH1 (0.34) TRPV4
SCHEMBL17775982 0.85 TRPV4 (0.36) TRPV4NR1I2CYP2C9MLYCDPDE2A
SCHEMBL12578908 0.84 TRPV4 (0.37) TRPV4
SCHEMBL14878751 0.83 TRPV4 (0.35) TRPV4NR1I2CYP2C9MLYCDPDE2A
SCHEMBL14451426 0.81 PTPN5 (0.36) TRPV4NR1I2CYP2C9MLYCDPDE2A
SCHEMBL30521437 0.81 PTPN5 (0.36) TRPV4NR1I2CYP2C9MLYCDPDE2A
SCHEMBL12578366 0.79 SMN1; SMN2 (0.32) TRPV4
SCHEMBL13262415 0.77 TRPV4 (0.32) TRPV4NR1I2CYP2C9MLYCD
SCHEMBL18639231 0.74 TRPV4 (0.68) TRPV4

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-10925876-B2 Methods for using triazolo-pyrazinyl soluble guanylate cyclase activators in fibrotic disorders MERCK SHARP & DOHME CORP. (US) 2021-02-23 US disclosed
US-20190282579-A1 METHODS FOR USING TRIAZOLO-PYRAZINYL SOLUBLE GUANYLATE CYCLASE ACTIVATORS IN FIBROTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2019-09-19 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 (2 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-20190282579-A1 METHODS FOR USING TRIAZOLO-PYRAZINYL SOLUBLE GUANYLATE CYCLASE ACTIVATORS IN FIBROTIC DISORDERS GUCY1B1, GUCY1A1, GUCY1A2 TRPV4 3484/4885NR1I2 2268/4885CYP2C9 3159/4885
US-10925876-B2 Methods for using triazolo-pyrazinyl soluble guanylate cyclase activators in fibrotic disorders GUCY1B1, GUCY1A1, GUCY1A2 TRPV4 3484/4885NR1I2 2268/4885CYP2C9 3159/4885

“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.