SCHEMBL1768629

SCHEMBL1768629

CC(C)(CN)CCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
THRB P10828 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 2/20 0.45
MEN1 O00255 2/20 0.45
NAALAD2 Q9Y3Q0 1/20 0.43
CYP2D6 P10635 2/20 0.43
LMNA P02545 4/20 0.40
GABRR1 P24046 2/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
BLM P54132 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 2/20 0.40
GABRR3 A8MPY1 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 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
SCHEMBL1345129 0.86 KDM4E (0.52) KDM4ETHRBKMT2AALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL29206869 0.84 KDM4E (0.56) KDM4ETHRBKMT2AALDH1A1CYP1A2
SCHEMBL11529406 0.84 NAALAD2 (0.50) KDM4ETHRBKMT2AALDH1A1CYP1A2
SCHEMBL26061311 0.83 KDM4E (0.45) KDM4ETHRBKMT2AALDH1A1CYP1A2
SCHEMBL29065914 0.82 TDP1 (0.54) KDM4ETHRBKMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL31279551 0.81 NAALAD2 (0.48) KDM4ETHRBKMT2AALDH1A1CYP1A2
SCHEMBL23682363 0.79 NAALAD2 (0.44) KDM4ETHRBKMT2AALDH1A1CYP1A2
SCHEMBL28204810 0.79 THRB (0.52) KDM4ETHRBKMT2AALDH1A1CYP1A2
SCHEMBL13168811 0.79 NAALAD2 (0.46) KDM4ETHRBKMT2AALDH1A1CYP1A2
SCHEMBL10076899 0.78 KDM4E (0.74) KDM4EALDH1A1CYP2D6TSHRFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203098-A1 HUMAN TRANSFERRIN RECEPTOR BINDING PEPTIDE JCR PHARMACEUTICALS CO., LTD. (JP) 2023-06-29 US disclosed
CN-110256297-A A kind of preparation method of N-Boc- (R) -2- amino -4,4- dimethyl valeric acid 爱斯特(成都)生物制药股份有限公司 2019-09-20 CN disclosed
EP-3274361-A1 BETA-HAIRPIN PEPTIDOMIMETICS Polyphor Ag (CH) 2018-01-31 EP disclosed
WO-2016150576-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2016-09-29 WO disclosed
EP-2978771-A1 BETA-HAIRPIN PEPTIDOMIMETICS Polyphor Ag (CH) 2016-02-03 EP disclosed
EP-2978772-A1 BETA-HAIRPIN PEPTIDOMIMETICS Polyphor AG (CH) 2016-02-03 EP disclosed
EP-2970243-A2 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
WO-2014161782-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2014-10-09 WO disclosed
WO-2014161781-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2014-10-09 WO disclosed
WO-2014144100-A2 SGC STIMULATORS NAKAI TAKASHI (US) 2014-09-18 WO disclosed
CN-102844327-A Template-fixed peptidomimetics with CXCR7 modulatory activity POLYPHOR AG 2012-12-26 CN disclosed
CN-102712676-A Template-fixed peptidomimetics with CCR10 antagonistic activty POLYPHOR AG 2012-10-03 CN disclosed
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 EP disclosed
WO-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY POLYPHOR AG (CH) 2011-05-26 WO disclosed
CN-1384830-A Novel spiroheterocyclic compounds as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMA (US) 2002-12-11 CN 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 (1 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-20230203098-A1 HUMAN TRANSFERRIN RECEPTOR BINDING PEPTIDE TFRC, SLC3A2, SLC7A1 KDM4E 3553/4885THRB 26/4885KMT2A 2608/4885

“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.