Sugi Predict

Sugi Predict / Compounds / SCHEMBL4366242

SCHEMBL4366242

SCHEMBL4366242

C[C@H](Oc1cccc(N(S)C(=O)NC(=O)c2ccc(C(F)(F)F)cc2)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.43
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KCNQ3 O43525 2/20 0.39
▸ KCNQ2 O43526 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LTB4R Q15722 2/20 0.39
▸ LTB4R2 Q9NPC1 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ ADAMTS4 O75173 1/20 0.38
▸ MMP13 P45452 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
SCHEMBL4364673 0.90 MAPK14 (0.45) MAPK14LTB4RLTB4R2MMP13PPARG
SCHEMBL4543064 0.79 SIRT2 (0.47) MAPK14MEN1KMT2AALDH1A1
SCHEMBL4360469 0.77 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL4366238 0.77 ALDH1A1 (0.64) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL4539373 0.77 ALDH1A1 (0.64) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL4373593 0.77 ALDH1A1 (0.50) TSHRMEN1KMT2AALDH1A1GAA
SCHEMBL14859815 0.71 KCNK9 (0.47) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL4375354 0.70 MAPK14 (0.49) MAPK14MEN1KMT2APPARGNPC1
SCHEMBL6219787 0.69 MEN1 (0.46) CYP1A2CYP3A4CYP2C9MEN1KMT2A
SCHEMBL6221564 0.69 MEN1 (0.46) CYP1A2CYP3A4CYP2C9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7094807-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-22 — — US claimed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 — — US claimed
US-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2004-07-15 — — US claimed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 — — US disclosed
US-7094807-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-22 — — US disclosed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 — — 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-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, TPMT MAPK14 4434/4885CYP1A2 267/4885CYP3A4 568/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 MAPK14 4516/4885CYP1A2 187/4885CYP3A4 626/4885

“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.