SCHEMBL2736207

SCHEMBL2736207

COC(=O)[C@@H](NC(=O)N(C)Cc1csc(C(C)C)n1)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.59
CYP2D6 P10635 5/20 0.56
CYP2C19 P33261 4/20 0.56
CYP2C9 P11712 4/20 0.56
CYP1A2 P05177 2/20 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
SCHEMBL18531996 1.00 CYP3A4 (0.59) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL10201899 0.93 CYP3A4 (0.55) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL2736271 0.92 CYP3A4 (0.54) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL13535190 0.91 CYP3A4 (0.55) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL3362046 0.90 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL3361380 0.90 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL14638407 0.90 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL13535195 0.90 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL13535191 0.90 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL7180371 0.90 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2

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 133 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119241467-A Synthesis method of N- [ N-methyl-N- [ (2-isopropyl-4-thiazolyl) methyl ] aminocarbonyl ] -L-valine and methyl ester thereof 乳源瑶族自治县东阳光生物科技有限公司 2025-01-03 CN claimed
WO-2006090270-A1 ACID ADDITION SALT OF 2-ISOPROPYL-4-(((N-METHYL)AMINO)METHYL)THIAZOLE AND ITS?USE IN THE PREPARATION OF RITONAVIR RANBAXY LABORATORIES LIMITED (US) 2006-08-31 WO claimed
EP-0727419-B1 Intermediates for the preparation of retroviral protease inhibiting compounds ABBOTT LAB (US) 2002-02-27 EP claimed
EP-0727419-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 1996-08-21 EP claimed
CN-119241467-A Synthesis method of N- [ N-methyl-N- [ (2-isopropyl-4-thiazolyl) methyl ] aminocarbonyl ] -L-valine and methyl ester thereof 乳源瑶族自治县东阳光生物科技有限公司 2025-01-03 CN disclosed
CN-119241467-A Synthesis method of N- [ N-methyl-N- [ (2-isopropyl-4-thiazolyl) methyl ] aminocarbonyl ] -L-valine and methyl ester thereof 乳源瑶族自治县东阳光生物科技有限公司 2025-01-03 CN disclosed
EP-3689353-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2020-08-05 EP disclosed
US-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2018-08-09 US disclosed
US-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2018-08-09 US disclosed
CN-105753806-B A kind of heterogeneous synthetic method of Ritonavir intermediate and its application 厦门市蔚嘉化学科技有限公司 2018-06-05 CN disclosed
US-9891239-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2018-02-13 US disclosed
US-9891239-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2018-02-13 US disclosed
EP-0727419-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 1996-08-21 EP disclosed
US-5541206-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTION ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5539122-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1996-07-23 US disclosed
US-5484801-A Pharmaceutical composition for inhibiting HIV protease ABBOTT LABORATORIES (US) 1996-01-16 US disclosed
EP-0683772-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1995-11-29 EP disclosed
US-5461067-A For HIV infections ABBOTT LABORATORIES (US) 1995-10-24 US disclosed
EP-0683772-A4 RETROVIRAL PROTEASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1995-09-27 EP disclosed
WO-1994019332-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-09-01 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 (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-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CYP3A4 415/4885CYP2D6 140/4885CYP2C19 716/4885

“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.