SCHEMBL5469952

SCHEMBL5469952

NC(=O)C(S)CCC(S)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 3/20 0.39
FOLH1 Q04609 1/20 0.38
EPHX1 P07099 1/20 0.35
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TDP1 Q9NUW8 4/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 3/20 0.31
OR51E2 Q9H255 1/20 0.31
ALOX15 P16050 3/20 0.31
BLM P54132 2/20 0.31
PMP22 Q01453 2/20 0.31
KMT2A Q03164 2/20 0.31
HPGD P15428 3/20 0.30
HSD17B10 Q99714 3/20 0.30
KDM4E B2RXH2 2/20 0.30
CYP2C9 P11712 2/20 0.30
ABCB11 O95342 1/20 0.30

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
SCHEMBL5471460 0.89 FOLH1 (0.54) RNPEPFOLH1LDHALDHBTDP1
SCHEMBL5456827 0.88 RNPEP (0.46) RNPEPFOLH1EPHX1LDHALDHB
SCHEMBL7554203 0.85
SCHEMBL1679967 0.85 RNPEP (0.50) RNPEPFOLH1EPHX1CA1CA2
SCHEMBL19042804 0.83
SCHEMBL5971223 0.83
SCHEMBL5470071 0.80 RNPEP (0.38) RNPEPFOLH1EPHX1LDHALDHB
SCHEMBL18756515 0.79 RNPEP (0.68) RNPEPFOLH1ALDH1A1LMNAALOX15
SCHEMBL7098138 0.79
SCHEMBL8556461 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070009462-A9 Composition to permanently reshape the hair containing at least one dicarboxydithiol MALLE GERARD 2007-01-11 US claimed
US-20050201964-A1 Composition to permanently reshape the hair containing at least one dicarboxydithiol L'OREAL S.A. (FR) 2005-09-15 US claimed
EP-1570834-A1 Composition for permanently deforming hair containing at least a dicarboxydithiol L'OREAL (FR) 2005-09-07 EP claimed
US-6660863-B2 Reacting an cycloheptatriene nitrile compound with nortropane compound NIHON MEDI-PHYSICS CO., LTD. (JP) 2003-12-09 US claimed
US-20030109708-A1 Process for synthesizing anhydroecgonine derivative NIHON MEDI-PHYSICS CO., LTD. 2003-06-12 US claimed
US-20010020096-A1 Process for synthesizing anhydroecgonine derivative NIHON MEDI-PHYSICS CO., LTD. (JP) 2001-09-06 US claimed
EP-1127887-A1 Process for synthesizing anhydroecgonine derivative NIHON MEDI-PHYSICS Co., Ltd. (JP) 2001-08-29 EP claimed
US-20070134185-A1 Use of dithiols in a hair-perming composition L'OREAL S.A. (FR) 2007-06-14 US disclosed
US-20070009462-A9 Composition to permanently reshape the hair containing at least one dicarboxydithiol MALLE GERARD 2007-01-11 US disclosed
US-20060189567-A1 Compound having affinity with calcified tissue NIHON MEDI-PHYSICS CO., LTD. (JP) 2006-08-24 US disclosed
EP-1609797-A1 COMPOUND HAVING AFFINITY WITH CALCIFIED TISSUE Nihon Medi-Physics Co., Ltd. (JP) 2005-12-28 EP disclosed
US-20050201964-A1 Composition to permanently reshape the hair containing at least one dicarboxydithiol L'OREAL S.A. (FR) 2005-09-15 US disclosed
EP-1570834-A1 Composition for permanently deforming hair containing at least a dicarboxydithiol L'OREAL (FR) 2005-09-07 EP disclosed
US-6660863-B2 Reacting an cycloheptatriene nitrile compound with nortropane compound NIHON MEDI-PHYSICS CO., LTD. (JP) 2003-12-09 US disclosed
US-20030186845-A1 Compositions for preventing urinary calculus NIHON MEDI-PHYSICS CO., LTD. (JP) 2003-10-02 US disclosed
US-6596868-B2 Reacting a cycloheptatriene derivative with a primary amine or ammonia in the presence of a base NIHON MEDI-PHYSICS CO., LTD. (JP) 2003-07-22 US disclosed
EP-1323433-A1 COMPOSITIONS FOR PREVENTING URINARY CALCULUS Nihon Medi-Physics Co., Ltd. (JP) 2003-07-02 EP disclosed
US-20030109708-A1 Process for synthesizing anhydroecgonine derivative NIHON MEDI-PHYSICS CO., LTD. 2003-06-12 US disclosed
US-20010020096-A1 Process for synthesizing anhydroecgonine derivative NIHON MEDI-PHYSICS CO., LTD. (JP) 2001-09-06 US disclosed
EP-1127887-A1 Process for synthesizing anhydroecgonine derivative NIHON MEDI-PHYSICS Co., Ltd. (JP) 2001-08-29 EP 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 (6 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-20070134185-A1 Use of dithiols in a hair-perming composition DSG1, DSC1, DUS2 RNPEP 3205/4885FOLH1 435/4885EPHX1 2315/4885
US-20050201964-A1 Composition to permanently reshape the hair containing at least one dicarboxydithiol NR5A1, SRD5A2, HRH3 RNPEP 3213/4885FOLH1 2078/4885EPHX1 1566/4885
US-20070009462-A9 Composition to permanently reshape the hair containing at least one dicarboxydithiol NR5A1, SRD5A2, HRH3 RNPEP 3213/4885FOLH1 2078/4885EPHX1 1566/4885
US-20060189567-A1 Compound having affinity with calcified tissue SLC7A1, MBNL1, SHBG RNPEP 546/4885FOLH1 1422/4885EPHX1 4409/4885
US-20030109708-A1 Process for synthesizing anhydroecgonine derivative CES2, NPR1, OPRL1 RNPEP 433/4885FOLH1 2021/4885EPHX1 1250/4885
US-20010020096-A1 Process for synthesizing anhydroecgonine derivative CES2, NPR1, OPRL1 RNPEP 433/4885FOLH1 2021/4885EPHX1 1250/4885

“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.