SCHEMBL142710

SCHEMBL142710

CCC(CCCN)N(Cc1cnc2[nH]c(N)nc(=O)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 8/20 0.51
TYMS P04818 4/20 0.51
ATIC P31939 3/20 0.51
GART P22102 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
HPGD P15428 2/20 0.51
KMT2A Q03164 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
TLR4 O00206 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.51
HMGB1 P09429 1/20 0.51
MAPT P10636 1/20 0.51
FOLR2 P14207 1/20 0.51
FOLR1 P15328 1/20 0.51

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
SCHEMBL28801046 0.88 DHFR (0.52) DHFRTYMSATICGARTKDM4E
SCHEMBL5053297 0.86 DHFR (0.54) DHFRTYMSATICGARTKDM4E
Methopterine SCHEMBL2274614 0.85 DHFR (0.69) DHFRTYMSATICGARTKDM4E
SCHEMBL25167471 0.85 DHFR (0.57) DHFRTYMSATICGARTKDM4E
SCHEMBL5549456 0.85 DHFR (0.53) DHFRTYMSATICGARTKDM4E
Methopterine SCHEMBL246803 0.85 DHFR (0.70) DHFRTYMSATICGARTKDM4E
SCHEMBL338037 0.84 DHFR (0.57) DHFRTYMSATICGARTKDM4E
SCHEMBL16653871 0.84 DHFR (0.54) DHFRTYMSATICGARTKDM4E
SCHEMBL29190442 0.84 DHFR (0.57) DHFRTYMSATICGARTKDM4E
SCHEMBL28344203 0.84 DHFR (0.61) DHFRTYMSATICGARTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735439-B2 Chlorin e6-folic acid conjugate, preparation method thereof, and a pharmaceutical composition for the treatment of cancer comprising the same DIATECH KOREA CO., LTD. (KR) 2014-05-27 US claimed
EP-2431366-A1 NEW CHLORINE E6-FOLIC ACID CONJUGATED COMPOUND, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR TREATMENT OF CANCER Diatech Korea Co., Ltd. (KR) 2012-03-21 EP claimed
US-20120059018-A1 NOVEL CHLORIN E6-FOLIC ACID CONJUGATE, PREPARATION METHOD THEREOF, AND A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CANCER COMPRISING THE SAME DIATECH KOREA CO., LTD. (KR) 2012-03-08 US claimed
US-8735439-B2 Chlorin e6-folic acid conjugate, preparation method thereof, and a pharmaceutical composition for the treatment of cancer comprising the same DIATECH KOREA CO., LTD. (KR) 2014-05-27 US disclosed
EP-2431366-A1 NEW CHLORINE E6-FOLIC ACID CONJUGATED COMPOUND, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR TREATMENT OF CANCER Diatech Korea Co., Ltd. (KR) 2012-03-21 EP disclosed
EP-2431040-A1 PHARMACEUTICAL COMPOSITION COMPRISING CHLORINE E6-FOLIC ACID CONJUGATED COMPOUND AND CHITOSAN FOR TREATMENT OF CANCER Diatech Korea Co., Ltd. (KR) 2012-03-21 EP disclosed
US-20120059018-A1 NOVEL CHLORIN E6-FOLIC ACID CONJUGATE, PREPARATION METHOD THEREOF, AND A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CANCER COMPRISING THE SAME DIATECH KOREA CO., LTD. (KR) 2012-03-08 US disclosed
US-20120035180-A1 PHARMACEUTICAL COMPOSITION FOR TREATING CANCER COMPRISING CHLORIN E6-FOLIC ACID CONJUGATE COMPOUND AND CHITOSAN DIATECH KOREA CO., LTD. (KR) 2012-02-09 US disclosed
WO-2010126178-A1 NEW CHLORINE E6-FOLIC ACID CONJUGATED COMPOUND, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR TREATMENT OF CANCER 다이아텍코리아 주식회사 (KR) 2010-11-04 WO disclosed
WO-2010126179-A1 PHARMACEUTICAL COMPOSITION COMPRISING CHLORINE E6-FOLIC ACID CONJUGATED COMPOUND AND CHITOSAN FOR TREATMENT OF CANCER 다이아텍코리아 주식회사 (KR) 2010-11-04 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-20120035180-A1 PHARMACEUTICAL COMPOSITION FOR TREATING CANCER COMPRISING CHLORIN E6-FOLIC ACID CONJUGATE COMPOUND AND CHITOSAN FOLR1, FOLR2, SLC46A1 DHFR 4/4885TYMS 20/4885ATIC 1635/4885
US-20120059018-A1 NOVEL CHLORIN E6-FOLIC ACID CONJUGATE, PREPARATION METHOD THEREOF, AND A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CANCER COMPRISING THE SAME FOLR1, FOLR2, DHFR DHFR 3/4885TYMS 21/4885ATIC 585/4885

“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.