SCHEMBL17448175

SCHEMBL17448175

NC(=O)NCCC[C@H](N)C(=O)NCCCC(=O)Nc1ccc(CO)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.52
▸ TERT O14746 4/20 0.47
▸ TRPV1 Q8NER1 4/20 0.47
▸ SPHK1 Q9NYA1 4/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ PDK1 Q15118 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ SPHK2 Q9NRA0 1/20 0.40

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
SCHEMBL23011442 0.89 LTA4H (0.50) LTA4HTERTTRPV1SPHK1ADRB2
SCHEMBL12634418 0.88 SPHK1 (0.51) LTA4HSPHK1SPHK2
SCHEMBL17801791 0.88 SPHK1 (0.51) LTA4HSPHK1SPHK2
SCHEMBL15602566 0.84 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29142412 0.78 TRPV1 (0.43) LTA4HTRPV1HDAC3HDAC4HDAC1
SCHEMBL18867987 0.78 SPHK1 (0.49) LTA4HSPHK1SPHK2
SCHEMBL31063980 0.78 SPHK1 (0.40) SPHK1HDAC1HDAC6SPHK2
SCHEMBL19132239 0.78 HDAC2 (0.41) SPHK1HDAC1HDAC2HDAC6SPHK2
SCHEMBL19234501 0.77 SPHK1 (0.53) LTA4HSPHK1HDAC3HDAC4HDAC1
SCHEMBL18099876 0.77 HSD17B10 (0.49) TRPV1SPHK1SPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3169368-B1 LINKERS AND THEIR APPLICATION TOWARDS ADC MEDSHINE DISCOVERY INC (CN) 2021-02-17 — — EP disclosed
US-10280229-B2 Linkers and their application towards ADC MEDSHINE DISCOVERY INC. (CN) 2019-05-07 — — US disclosed
US-20170202974-A1 LINKERS AND THEIR APPLICATION TOWARDS ADC MEDSHINE DISCOVERY INC. (CN) 2017-07-20 — — US disclosed
WO-2016008392-A1 LINKERS AND THEIR APPLICATION TOWARDS ADC MEDSHINE DISCOVERY INC. (CN) 2016-01-21 — — 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-20170202974-A1 LINKERS AND THEIR APPLICATION TOWARDS ADC DNPEP, DPP7, DPP3 LTA4H 1205/4885TERT 3413/4885TRPV1 3920/4885
US-10280229-B2 Linkers and their application towards ADC DNPEP, DPP7, DPP3 LTA4H 1205/4885TERT 3413/4885TRPV1 3920/4885

“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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