SCHEMBL16604445

SCHEMBL16604445

CC(C)(C)OC(=O)NCC1CCC(C(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)O)CC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.69
▸ ATM Q13315 2/20 0.69
▸ MEN1 O00255 1/20 0.67
▸ CTSS P25774 1/20 0.52
▸ CTSK P43235 1/20 0.52
▸ MAPK1 P28482 1/20 0.51
▸ LMNA P02545 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ PLG P00747 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ ACE P12821 1/20 0.43

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
SCHEMBL17961971 1.00 KMT2A (0.69) KMT2AATMMEN1CTSSCTSK
SCHEMBL16604349 1.00 KMT2A (0.69) KMT2AATMMEN1CTSSCTSK
SCHEMBL18093140 1.00 KMT2A (0.69) KMT2AATMMEN1CTSSCTSK
SCHEMBL18093204 0.91 KMT2A (0.58) KMT2AATMMEN1CTSSCTSK
SCHEMBL17961959 0.91 KMT2A (0.58) KMT2AATMMEN1CTSSCTSK
SCHEMBL16604444 0.91 KMT2A (0.58) KMT2AATMMEN1CTSSCTSK
SCHEMBL16604442 0.91 KMT2A (0.58) KMT2AATMMEN1CTSSCTSK
SCHEMBL25964562 0.91 KMT2A (0.70) KMT2AATMMEN1MAPK1LMNA
SCHEMBL16604417 0.91 KMT2A (0.70) KMT2AATMMEN1MAPK1LMNA
SCHEMBL388984 0.91 KMT2A (0.82) KMT2AATMMEN1CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280699-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-29 — — US disclosed
US-20160280688-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-29 — — US disclosed
US-20160272617-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-22 — — US disclosed
US-20160237044-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-18 — — US disclosed
US-20160237067-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-18 — — US disclosed
US-20160237045-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-18 — — US disclosed
US-20160222056-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-04 — — US disclosed
WO-2015044170-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES AND USE THEREOF TO TREAT THROMBOTIC/THROMBOEMBOLIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-02 — — WO disclosed
WO-2015044172-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-02 — — WO disclosed
WO-2015044163-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-02 — — WO disclosed
WO-2015044169-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-02 — — WO disclosed
WO-2015044165-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-02 — — WO disclosed
WO-2015044174-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES AS MODULATORS OF FACTOR XIA BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-02 — — 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 (7 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-20160237045-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT KMT2A 1451/4885ATM 1339/4885MEN1 1857/4885
US-20160280688-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT KMT2A 1451/4885ATM 1339/4885MEN1 1857/4885
US-20160272617-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT KMT2A 1451/4885ATM 1339/4885MEN1 1857/4885
US-20160222056-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT KMT2A 1451/4885ATM 1339/4885MEN1 1857/4885
US-20160237044-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, AADAT, TTR KMT2A 1317/4885ATM 1478/4885MEN1 2609/4885
US-20160280699-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT KMT2A 1451/4885ATM 1339/4885MEN1 1857/4885
US-20160237067-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT KMT2A 1451/4885ATM 1339/4885MEN1 1857/4885

“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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