SCHEMBL21523751

SCHEMBL21523751

CC(C)c1cc(C(=O)Nc2cnn(Cc3cnccc3C(F)(F)F)c2)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 18/20 1.00
SCD O00767 7/20 1.00
CYP2C8 P10632 2/20 0.53
CYP2B6 P20813 2/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL21535951 0.88 SCD5 (0.87) SCD5SCDCYP2C8CYP2B6CYP2C9
SCHEMBL21523672 0.86 SCD5 (1.00) SCD5SCDCYP2C8CYP2B6CYP2C9
SCHEMBL21523848 0.85 SCD5 (1.00) SCD5SCDCYP2C8CYP2B6CYP2C9
SCHEMBL21523617 0.84 SCD5 (1.00) SCD5SCDCYP2C8CYP2B6CYP2C9
SCHEMBL21523591 0.84 SCD5 (1.00) SCD5SCDCYP2C8CYP2B6CYP2C9
SCHEMBL21523622 0.83 SCD5 (1.00) SCD5SCDCYP2C8CYP2B6CYP2C9
SCHEMBL21523590 0.83 SCD5 (1.00) SCD5SCDCYP2C8CYP2B6CYP2C9
SCHEMBL21523801 0.83 SCD5 (1.00) SCD5SCDCYP2C8CYP2B6
SCHEMBL28535243 0.83 SCD5 (0.71) SCD5SCDCYP2C8CYP2B6CYP2C9
SCHEMBL21523745 0.83 SCD5 (1.00) SCD5SCDCYP2C8CYP2B6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112566636-A Compound and use thereof 优曼尼蒂治疗公司 2021-03-26 CN disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 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-10919885-B2 Compounds and uses thereof NLN, ACHE, CLN6 SCD5 1575/4885SCD 2044/4885CYP2C8 2318/4885
US-20190330198-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 SCD5 1575/4885SCD 2044/4885CYP2C8 2318/4885

“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.