SCHEMBL12494233

SCHEMBL12494233

O=C(O)[C@H](CC[C@H](Cc1ccccc1)C(=O)O)Cc1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.83
▸ CPA3 P15088 3/20 0.78
▸ FOLH1 Q04609 3/20 0.72
▸ CPA1 P15085 7/20 0.70
▸ CPB1 P15086 1/20 0.70
▸ CPB2 Q96IY4 1/20 0.70
▸ SLC1A3 P43003 1/20 0.63
▸ SLC1A2 P43004 1/20 0.63
▸ SLC1A1 P43005 1/20 0.63
▸ MME P08473 1/20 0.59
▸ NAALAD2 Q9Y3Q0 1/20 0.58
▸ ALPI P09923 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ PTGS1 P23219 1/20 0.57
▸ XIAP P98170 1/20 0.57
▸ SLC7A5 Q01650 1/20 0.57

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
SCHEMBL6724759 1.00 CYP1A2 (0.83) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL19821208 1.00 CYP1A2 (0.83) CYP1A2CPA3FOLH1CPA1CPB1
Hydrochloric Acid SCHEMBL6717346 0.98 CYP1A2 (0.79) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL11664393 0.91 FOLH1 (0.79) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL4664822 0.91 CYP1A2 (1.00) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL12494839 0.90 CYP1A2 (0.68) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL12494636 0.90 CYP1A2 (0.68) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL12494703 0.90 CYP1A2 (0.68) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL3276235 0.90 CYP1A2 (0.68) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL12493651 0.90 CYP1A2 (0.74) CYP1A2CPA3FOLH1CPA1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351556-B2 Process for the preparation of 1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2s)-2-[(methyl{[2-(propan-2-yl)-1,3-thiazol-4YL] methyl} carbamoyl) amino]-4-(morpholin-4-yl)butanoyl]amino)-1,6-diphenylhexan-2-yl]carbamate MSN LABORATORIES PRIVATE LIMITED (IN) 2019-07-16 — — US disclosed
US-20180030043-A1 NOVEL PROCESS FOR THE PREPARATION OF 1,3-THIAZOL-5-YLMETHYL [(2R,5R)-5- CARBAMOYL) AMINO] -4-(MORPHOLIN-4-YL)BUTANOYL]AMINO}-1,6-DIPHENYLHEXAN-2-YL]CARBAMATE MSN LABORATORIES PRIVATE LIMITED (IN) 2018-02-01 — — US disclosed
US-20180030043-A1 NOVEL PROCESS FOR THE PREPARATION OF 1,3-THIAZOL-5-YLMETHYL [(2R,5R)-5- CARBAMOYL) AMINO] -4-(MORPHOLIN-4-YL)BUTANOYL]AMINO}-1,6-DIPHENYLHEXAN-2-YL]CARBAMATE MSN LABORATORIES PRIVATE LIMITED (IN) 2018-02-01 — — US disclosed
WO-2016132378-A2 NOVEL PROCESS FOR THE PREPARATION OF 1,3-THIAZOL-5-YLMETHYL [(2R,5R)-5-{[(2S)-2- [(METHYL{[2-(PROPAN-2-YL)- 1,3-THIAZOL-4-YL] METHYL} CARBAMOYL) AMINO] -4-(MORPHOLIN-4-YL)BUTANOYL]AMINO}-1,6-DIPHENYLHEXAN-2-YL] CARBAMATE MSN LABORATORIES PRIVATE LIMITED (IN) 2016-08-25 — — WO disclosed
US-9346852-B2 Substituted adipic acid amides and uses thereof BRISTOL-MYERS SCUIBB COMPANY (US) 2016-05-24 — — US disclosed
US-9346852-B2 Substituted adipic acid amides and uses thereof BRISTOL-MYERS SCUIBB COMPANY (US) 2016-05-24 — — US disclosed
US-9346852-B2 Substituted adipic acid amides and uses thereof BRISTOL-MYERS SCUIBB COMPANY (US) 2016-05-24 — — US disclosed
US-20130345123-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-26 — — US disclosed
WO-2012125622-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 — — WO disclosed
WO-2012125622-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 — — 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 (3 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-10351556-B2 Process for the preparation of 1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2s)-2-[(methyl{[2-(propan-2-yl)-1,3-thiazol-4YL] methyl} carbamoyl) amino]-4-(morpholin-4-yl)butanoyl]amino)-1,6-diphenylhexan-2-yl]carbamate METTL3, CPS1, PKD1 CYP1A2 1313/4885CPA3 2796/4885FOLH1 2131/4885
US-20130345123-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF NPY4R, ADIPOR1, NPY1R CYP1A2 1432/4885CPA3 508/4885FOLH1 3242/4885
US-20180030043-A1 NOVEL PROCESS FOR THE PREPARATION OF 1,3-THIAZOL-5-YLMETHYL [(2R,5R)-5- CARBAMOYL) AMINO] -4-(MORPHOLIN-4-YL)BUTANOYL]AMINO}-1,6-DIPHENYLHEXAN-2-YL]CARBAMATE CPS1, METTL3, ACMSD CYP1A2 981/4885CPA3 2371/4885FOLH1 1887/4885

“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.

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