SCHEMBL2803138

SCHEMBL2803138

Cc1ccc(F)c(Nc2c(C(=O)N3CCC(c4ccc(F)cc4F)CC3)cnc3c(C(=O)O)cnn23)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
MAPT P10636 3/20 0.42
THRB P10828 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
APLNR P35414 1/20 0.37
DHODH Q02127 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
NTRK1 P04629 2/20 0.36
JAK2 O60674 1/20 0.36
GRM2 Q14416 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2800942 0.91 TP53 (0.40) TP53MAPTTHRBLMNASMN1; SMN2
SCHEMBL2799735 0.90 FASN (0.40) TP53MAPTTHRBLMNASMN1; SMN2
SCHEMBL2801339 0.89 TP53 (0.38) TP53MAPTTHRBLMNAAPLNR
SCHEMBL2801655 0.88 ALDH1A1 (0.41) TP53MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL2801212 0.87 DHODH (0.37) TP53MAPTTHRBLMNADHODH
SCHEMBL2800966 0.84 FASN (0.40) TP53MAPTDHODHHCRTR1HCRTR2
SCHEMBL2799665 0.84 FASN (0.42) TP53MAPTTHRBLMNAALDH1A1
SCHEMBL2800543 0.83 EGLN1 (0.37) TP53MAPTLMNASMN1; SMN2DHODH
SCHEMBL2801551 0.82 FASN (0.39) TP53MAPTTHRBLMNADHODH
SCHEMBL2799695 0.81 KDM4E (0.41) TP53MAPTTHRBLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
EP-2206714-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES Kyowa Hakko Kirin Co., Ltd. (JP) 2010-07-14 EP 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-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 TP53 241/4885MAPT 2533/4885THRB 4546/4885

“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.