Sugi Predict

Sugi Predict / Compounds / SCHEMBL12752174

SCHEMBL12752174

SCHEMBL12752174

CCn1c(C(=O)c2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.34
▸ HPD P32754 4/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TPH1 P17752 1/20 0.32
▸ TPH2 Q8IWU9 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ B3GNT2 Q9NY97 1/20 0.32

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
SCHEMBL12828761 0.94 KMT2A (0.41) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL12752165 0.92 KMT2A (0.35) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL12752183 0.91 KMT2A (0.47) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL12752288 0.91 KMT2A (0.37) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL12752177 0.90 KMT2A (0.34) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL12752179 0.89 KMT2A (0.41) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL642371 0.89 KDM4E (0.36) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL12752290 0.89 B3GNT2 (0.41) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL12752284 0.88 KMT2A (0.33) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL12752190 0.88 KMT2A (0.39) KMT2AMEN1TDP1ALDH1A1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 — — US disclosed
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 — — US disclosed
US-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 — — US disclosed
US-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 — — US disclosed
US-20110076276-A1 Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2011-03-31 — — US disclosed
US-20110076276-A1 Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2011-03-31 — — US disclosed
WO-2009005674-A2 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-01-08 — — WO 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-20110076276-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLR1E, POLR2H KMT2A 1544/4885MEN1 4798/4885TDP1 160/4885
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLR1E, POLR2H KMT2A 1544/4885MEN1 4798/4885TDP1 160/4885

“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.