SCHEMBL19257971

SCHEMBL19257971

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(N)cc1)c1nccs1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 15/20 0.49
CCR3 P51677 1/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
AGTR1 P30556 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL10411484 0.89 PTPRB (0.55) PTPRBALDH1A1LMNATP53MAPT
SCHEMBL17297218 0.89 PTPRB (0.55) PTPRBALDH1A1LMNATP53MAPT
SCHEMBL19258117 0.86 CCR3 (0.59) PTPRBCCR3LMNAMAPTHTT
SCHEMBL19258120 0.86 CCR3 (0.59) PTPRBCCR3LMNAMAPTHTT
SCHEMBL19257972 0.86 CCR3 (0.59) PTPRBCCR3LMNAMAPTHTT
SCHEMBL792620 0.83 PTPN1 (0.56) PTPRBALDH1A1LMNATP53MAPT
SCHEMBL14572899 0.83 PTPN1 (0.56) PTPRBALDH1A1LMNATP53MAPT
SCHEMBL20586742 0.82 CCR3 (0.47) PTPRBCCR3LMNAPKMRAB9A
SCHEMBL19209330 0.82 CCR3 (0.47) PTPRBCCR3LMNAPKMRAB9A
SCHEMBL1206317 0.78 PTPRB (0.41) PTPRBALDH1A1LMNATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723727-B2 Tubulysin analogs and methods for their preparation PFIZER INC. (US) 2020-07-28 US disclosed
US-20190091345-A1 ANTI-HER2 ANTIBODY-DRUG CONJUGATE AND APPLICATION THEREOF HANGZHOU ADCORIS BIOPHARMA CO., LTD. (CN) 2019-03-28 US disclosed
WO-2017134547-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2017-08-10 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-20190091345-A1 ANTI-HER2 ANTIBODY-DRUG CONJUGATE AND APPLICATION THEREOF ERBB2, EGFR, ERBB3 PTPRB 409/4885CCR3 2194/4885ALDH1A1 2915/4885
US-10723727-B2 Tubulysin analogs and methods for their preparation NGLY1, TEK, TEKT1 PTPRB 794/4885CCR3 913/4885ALDH1A1 4715/4885

“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.