SCHEMBL12450808

SCHEMBL12450808

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nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CTSK P43235 5/20 0.38
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
MAPK1 P28482 1/20 0.32
MLYCD O95822 7/20 0.32

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
SCHEMBL12914591 1.00 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL7347959 1.00 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL9953255 0.82 CYP2D6 (0.44) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL19871362 0.82 CYP2D6 (0.44) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL27176972 0.81 HDAC3 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL20051922 0.80 HDAC3 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2690899 0.78 CYP2D6 (0.55) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL646475 0.78 HDAC3 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL644647 0.78 HDAC3 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL17758950 0.77 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655257-B2 MK2 inhibitors, synthesis thereof, and intermediates thereto CELGENE CAR LLC (BM) 2023-05-23 US disclosed
US-20170275334-A1 LINEAR PEPTIDE ANTIBIOTICS RQX PHARMACEUTICALS, INC. 2017-09-28 US disclosed
US-9708368-B2 Linear peptide antibiotics RQX PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2017-03-30 US disclosed
US-20160194358-A1 LINEAR PEPTIDE ANTIBIOTCS RQX PHARMACEUTICALS, INC. 2016-07-07 US disclosed
US-20150166605-A1 LINEAR PEPTIDE ANTIBIOTICS RQX PHARMACEUTICALS, INC. 2015-06-18 US disclosed
US-8999922-B2 Linear peptide antibiotics RQX PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-20130217619-A1 LINEAR PEPTIDE ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 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 (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-20150166605-A1 LINEAR PEPTIDE ANTIBIOTICS SPAST, PEPD, NPEPPS CYP2D6 4050/4885HDAC3 4145/4885HDAC1 3746/4885
US-20170275334-A1 LINEAR PEPTIDE ANTIBIOTICS SPAST, PEPD, NPEPPS CYP2D6 4050/4885HDAC3 4145/4885HDAC1 3746/4885
US-20130217619-A1 LINEAR PEPTIDE ANTIBIOTICS SPAST, PEPD, NPEPPS CYP2D6 4050/4885HDAC3 4145/4885HDAC1 3746/4885
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC CYP2D6 3451/4885HDAC3 2211/4885HDAC1 1081/4885
US-20160194358-A1 LINEAR PEPTIDE ANTIBIOTCS ANPEP, NPEPPS, PEPD CYP2D6 4329/4885HDAC3 3989/4885HDAC1 4054/4885
US-11655257-B2 MK2 inhibitors, synthesis thereof, and intermediates thereto WEE2, WEE1, CDK2 CYP2D6 1192/4885HDAC3 1315/4885HDAC1 586/4885
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 CYP2D6 2286/4885HDAC3 2032/4885HDAC1 717/4885

“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.